data_5w3n_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 5w3n _Structure_validation_residue.Date_analyzed 2017-09-22 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 ' 43' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.708 0.29 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -141.12 115.05 9.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.742 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -118.46 127.77 53.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -148.06 124.34 10.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.105 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.19 -54.32 8.76 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.37 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.3 t -132.61 -171.48 2.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.11 68.13 1.77 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 30.15 77.84 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.214 0.596 . . . . 0.0 111.753 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.02 -62.99 3.84 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -139.05 80.42 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.833 0.349 . . . . 0.0 110.209 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.6 t -138.85 128.24 24.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.93 166.49 21.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.85 49.32 12.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.732 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.05 -39.35 89.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.399 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.8 p -151.0 159.62 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -142.35 128.69 19.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.92 -152.18 48.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -50.36 115.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.382 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.84 153.52 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.769 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -100.0 107.96 20.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.285 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.76 104.61 16.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.752 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.5 m -119.65 127.83 53.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.463 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.64 -164.77 0.46 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.78 -53.9 22.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 111.097 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.11 -93.87 0.87 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -115.06 113.21 23.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.011 0.434 . . . . 0.0 110.396 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.46 143.12 3.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.072 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -107.97 124.08 49.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.415 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.58 174.28 6.19 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.892 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -47.98 178.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.732 2.288 . . . . 0.0 113.818 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.39 111.72 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.285 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 113.83 -85.84 0.4 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.05 50.11 0.87 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.626 0.727 . . . . 0.0 110.809 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.13 127.79 44.14 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.48 91.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.711 0.291 . . . . 0.0 110.599 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.6 m -80.54 102.99 10.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.041 0.448 . . . . 0.0 110.346 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.16 -147.27 13.7 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.16 71.63 0.58 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -51.99 140.2 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.734 0.302 . . . . 0.0 110.974 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.59 -47.35 0.65 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.33 130.26 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.687 0.279 . . . . 0.0 110.265 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -133.95 94.2 3.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.458 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.74 99.22 7.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.279 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -147.12 -177.76 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.031 0.443 . . . . 0.0 111.324 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.5 t -155.98 135.26 12.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.75 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.39 -177.91 6.89 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.215 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.3 p -171.19 165.62 7.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t -163.43 128.71 3.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.663 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -141.34 86.79 2.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.007 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 151.05 48.31 0.02 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.46 133.24 42.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.714 0.292 . . . . 0.0 110.605 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.21 139.22 33.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.2 m -130.06 114.62 16.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.8 t 65.19 85.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.618 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.616 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.714 0.293 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.95 115.04 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.822 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -118.38 127.79 54.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.668 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.07 124.38 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.335 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.38 -54.62 7.88 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.269 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.3 -171.23 2.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.962 0.41 . . . . 0.0 110.87 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 65.81 69.31 1.38 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 49' ' ' GLY . 88.0 m-85 28.74 78.33 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 O-C-N 124.12 0.541 . . . . 0.0 111.854 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.38 -62.98 3.99 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -139.02 80.37 1.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.894 0.378 . . . . 0.0 110.24 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.7 t -138.95 127.66 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 61.1 m -131.34 166.59 20.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 57.95 49.24 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.734 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -60.96 -39.42 89.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.425 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -150.9 159.7 44.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -142.45 128.68 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.586 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.85 -152.38 48.48 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.0 115.05 1.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.383 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p 175.82 153.22 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.885 0.374 . . . . 0.0 110.838 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.71 107.98 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.389 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.82 104.63 16.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.722 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -119.5 127.97 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.406 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.87 -164.59 0.48 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -53.92 22.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.723 0.297 . . . . 0.0 110.984 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.22 -94.1 0.89 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.6 p -114.83 113.3 24.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 0.0 110.359 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.53 142.82 3.25 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.11 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.1 m -107.61 124.0 49.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.27 174.41 6.04 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.805 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -47.68 -179.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.786 2.324 . . . . 0.0 113.742 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.04 110.95 3.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.237 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.65 -85.72 0.4 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.74 49.38 0.9 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.405 0.622 . . . . 0.0 110.782 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.29 128.08 43.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 91.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.743 0.306 . . . . 0.0 110.664 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.41 102.88 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.398 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.12 -146.67 13.23 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.99 71.63 0.57 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.09 140.38 20.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.921 0.391 . . . . 0.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.52 -47.24 0.66 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.26 130.36 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.686 0.279 . . . . 0.0 110.251 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.02 94.26 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.68 98.75 6.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.59 -177.62 5.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 111.379 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -155.93 135.13 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.873 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.26 -177.77 6.8 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.468 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 87.6 p -171.28 165.56 7.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -163.39 128.87 3.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.56 88.17 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.13 48.28 0.02 OUTLIER Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.4 133.16 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.713 0.292 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.31 139.24 33.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -130.13 114.55 15.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.369 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t 65.37 85.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.622 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.627 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.692 0.282 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.91 114.93 9.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.758 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -118.3 127.74 54.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.697 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.0 124.35 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.29 -54.67 7.82 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.39 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.26 -171.17 2.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.983 0.421 . . . . 0.0 110.905 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 65.73 69.4 1.36 Allowed Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' C' ' 49' ' ' GLY . 87.9 m-85 28.73 78.34 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.104 0.532 . . . . 0.0 111.851 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.43 -63.0 3.99 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -139.01 80.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.829 0.347 . . . . 0.0 110.176 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 20.8 t -138.85 127.58 23.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 61.5 m -131.31 166.58 20.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.96 49.31 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.78 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.07 -39.36 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 91.2 p -150.93 159.63 44.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -142.41 128.73 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.72 -152.36 48.23 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.96 115.02 1.23 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.44 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p 175.87 153.25 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.905 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.72 107.96 20.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.76 104.6 16.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 96.8 m -119.45 128.05 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.394 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.91 -164.59 0.48 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -53.98 22.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.589 0.233 . . . . 0.0 110.9 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.29 -94.1 0.88 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.4 p -114.81 113.36 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.52 142.75 3.24 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.073 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 67.3 m -107.51 123.97 49.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.26 174.48 5.94 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.822 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' D' ' 72' ' ' PRO . 76.3 Cg_exo -47.7 -179.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.804 2.336 . . . . 0.0 113.682 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.15 110.99 3.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.184 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.75 -85.69 0.4 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.83 49.39 0.9 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.401 0.619 . . . . 0.0 110.782 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.29 128.12 43.42 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.2 91.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.777 0.323 . . . . 0.0 110.605 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.45 103.0 10.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.399 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.13 -146.72 13.25 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.0 71.61 0.58 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -51.97 140.43 20.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.929 0.395 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.47 -47.24 0.66 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.24 130.33 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.711 0.291 . . . . 0.0 110.268 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.94 94.25 3.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.472 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.65 98.61 6.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.342 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.48 -177.61 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.41 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -155.93 135.15 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.818 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.26 -177.89 6.89 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.463 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 87.3 p -171.21 165.53 7.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.28 128.9 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.741 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.62 88.39 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.96 48.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.44 133.14 42.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.312 . . . . 0.0 110.59 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.27 139.28 33.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.16 114.58 15.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.379 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t 65.27 86.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.56 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 CA--C 1.526 0.038 0 CA-C-O 120.72 0.295 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 45.7 t -140.89 115.09 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m -118.53 127.66 53.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.759 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -147.93 124.34 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.421 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.46 -54.39 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.334 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.48 -171.19 2.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.96 0.41 . . . . 0.0 110.9 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 65.8 69.39 1.36 Allowed Glycine 0 CA--C 1.521 0.435 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' D' ' 49' ' ' GLY . 87.8 m-85 28.77 78.53 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.14 0.553 . . . . 0.0 111.645 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.57 -62.98 4.06 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -138.96 80.31 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.846 0.355 . . . . 0.0 110.226 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 21.6 t -138.96 127.62 23.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.951 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.26 166.64 20.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 57.9 49.34 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.725 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -61.04 -39.4 89.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.353 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 91.3 p -150.91 159.65 44.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.47 128.66 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.75 -152.36 48.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.95 115.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.376 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.76 153.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.872 0.367 . . . . 0.0 110.915 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.68 107.92 20.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.309 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.73 104.62 16.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.726 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -119.71 127.83 53.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.6 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.62 -164.56 0.44 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -53.46 27.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.581 0.229 . . . . 0.0 111.003 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.8 -93.96 0.89 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -114.83 113.1 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.631 0.253 . . . . 0.0 110.681 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.43 142.91 3.34 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.11 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 66.6 m -107.53 124.02 49.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.429 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.36 174.5 5.9 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.81 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 77.0 Cg_exo -47.7 -179.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.787 2.325 . . . . 0.0 113.715 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.1 110.93 3.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.308 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.66 -85.58 0.39 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.97 49.44 0.9 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.424 0.631 . . . . 0.0 110.769 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.32 128.1 43.41 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t 50.38 91.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 110.569 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.35 102.77 9.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.13 -146.76 13.29 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 71.73 0.56 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.13 140.44 20.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.46 -47.17 0.66 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.24 130.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.725 0.298 . . . . 0.0 110.227 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.0 94.13 3.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.61 98.7 6.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.373 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.53 -177.72 5.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.98 0.419 . . . . 0.0 111.39 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.9 135.09 12.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.855 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.26 -177.92 6.9 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.443 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.09 165.51 7.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.32 128.76 3.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.64 88.42 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.0 48.52 0.02 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -97.42 133.14 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.66 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.3 139.21 33.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -130.04 114.53 15.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t 65.38 85.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.63 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.615 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.744 0.307 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 46.0 t -140.49 115.04 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -118.46 127.92 54.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 110.651 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -148.18 125.18 11.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -77.07 -50.84 12.17 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 118.955 -1.098 . . . . 0.0 111.757 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 8.8 t -130.99 -171.07 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.098 0.475 . . . . 0.0 111.441 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 65.97 70.11 1.18 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 177.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' E' ' 49' ' ' GLY . 87.8 m-85 26.21 81.33 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 124.669 0.864 . . . . 0.0 110.841 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.15 -64.56 3.24 Favored Glycine 0 CA--C 1.518 0.232 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -138.42 81.83 1.87 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.01 0.434 . . . . 0.0 110.002 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 21.5 t -139.73 127.66 22.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.587 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -131.38 166.72 20.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.21 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 57.8 49.13 12.62 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.711 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 72.9 m -60.98 -39.35 89.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.423 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 91.3 p -150.94 159.62 44.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.41 128.66 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.59 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.82 -152.32 48.48 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.06 115.06 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.78 153.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.368 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.73 107.85 20.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.348 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.66 104.5 16.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.817 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -119.48 127.99 53.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.295 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.43 -164.81 0.43 Allowed Glycine 0 CA--C 1.524 0.607 0 O-C-N 123.892 0.745 . . . . 0.0 111.266 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.7 -54.59 17.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.649 0.261 . . . . 0.0 110.75 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.63 -94.3 0.88 Allowed Glycine 0 N--CA 1.462 0.403 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.4 p -114.84 113.15 23.83 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.114 0.538 . . . . 0.0 110.257 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -168.32 143.54 3.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.002 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 69.4 m -108.34 125.54 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 119.009 -0.52 . . . . 0.0 110.165 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.65 174.44 5.8 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 125.06 1.475 . . . . 0.0 109.265 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . 0.407 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 75.8 Cg_exo -47.84 -179.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 122.782 2.321 . . . . 0.0 113.583 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -151.83 114.12 4.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.619 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 113.0 -86.62 0.43 Allowed Glycine 0 CA--C 1.534 1.278 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.1 48.94 0.9 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.294 0.569 . . . . 0.0 111.038 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.09 128.05 42.86 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t 49.79 92.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.366 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 6.9 m -81.04 103.56 10.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.229 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.44 -146.79 13.07 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.66 72.3 0.47 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -52.71 139.96 24.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.004 0.43 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.84 -44.77 0.73 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 169.02 130.75 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.875 0.369 . . . . 0.0 110.061 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.26 93.61 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.65 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.05 97.77 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.359 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.16 -177.88 5.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.002 0.43 . . . . 0.0 111.353 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -155.81 135.05 12.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.854 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.39 -178.24 7.13 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.475 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 88.3 p -170.12 165.77 9.17 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -162.81 128.99 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.34 88.07 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.799 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.12 48.85 0.02 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -96.3 132.86 41.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.467 -0.093 . . . . 0.0 110.875 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.19 139.4 33.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.9 m -129.93 114.49 15.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.261 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t 65.29 86.11 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.727 0.642 . . . . 0.0 110.657 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.543 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.831 0.348 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 45.4 t -140.94 115.03 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -118.37 127.94 54.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.651 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -148.1 124.5 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.405 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.3 -54.77 7.55 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.31 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.23 -171.25 2.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.858 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 65.8 69.55 1.32 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' F' ' 49' ' ' GLY . 87.9 m-85 28.5 78.3 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.123 0.543 . . . . 0.0 111.919 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.3 -63.1 3.89 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -138.99 80.39 1.78 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.829 0.347 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 21.3 t -138.98 127.52 23.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 61.4 m -131.26 166.61 20.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.95 49.23 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.763 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -60.98 -39.4 89.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.413 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -150.91 159.72 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.45 128.64 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.619 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.83 -152.36 48.47 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.95 114.97 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.86 153.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.369 . . . . 0.0 110.877 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.71 108.02 20.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.301 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.88 104.52 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -119.31 128.33 54.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.21 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -164.42 0.51 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.85 -54.42 19.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.636 0.255 . . . . 0.0 110.89 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.56 -94.22 0.88 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 19.5 p -114.65 113.52 24.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.65 142.78 3.17 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 67.0 m -107.51 124.04 49.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.461 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.34 174.54 5.85 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.804 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . 0.407 ' O ' ' HA ' ' E' ' 72' ' ' PRO . 76.3 Cg_exo -47.7 -179.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.77 2.313 . . . . 0.0 113.682 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.07 110.87 3.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.281 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.71 -85.72 0.4 Allowed Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.53 49.1 0.91 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.347 0.594 . . . . 0.0 110.804 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.16 128.2 43.36 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.08 91.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.79 0.329 . . . . 0.0 110.628 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 6.7 m -80.39 102.95 9.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.14 -146.76 13.28 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.13 71.61 0.58 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -52.02 140.39 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.921 0.391 . . . . 0.0 110.951 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.49 -47.18 0.66 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.26 130.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -133.94 94.21 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.521 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.62 98.69 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.4 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.5 -177.54 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 0.0 111.398 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -155.99 135.13 12.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.833 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.23 -177.83 6.84 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.531 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.26 165.52 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.877 0.37 . . . . 0.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.4 128.87 3.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.787 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.44 88.42 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.91 48.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.41 133.08 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.24 139.24 33.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.7 m -130.1 114.54 15.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.386 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t 65.32 85.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.642 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.562 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.767 0.318 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -140.89 115.0 9.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -118.37 127.75 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.703 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.02 124.35 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.382 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -73.33 -54.64 7.87 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.363 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.35 -171.22 2.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.974 0.416 . . . . 0.0 110.861 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 65.76 69.29 1.39 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' G' ' 49' ' ' GLY . 87.9 m-85 28.85 78.31 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 O-C-N 124.119 0.541 . . . . 0.0 111.887 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.41 -63.0 3.98 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -139.02 80.34 1.78 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.842 0.353 . . . . 0.0 110.198 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 20.5 t -138.91 127.66 23.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.905 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.34 166.59 20.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.508 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 57.88 49.33 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.724 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 73.1 m -60.99 -39.34 89.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.488 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 91.2 p -150.96 159.66 44.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -142.44 128.65 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.83 -152.38 48.45 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.02 115.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.431 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.9 153.23 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.895 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.71 107.94 20.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.312 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.72 104.6 16.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.774 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 96.3 m -119.39 127.99 53.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.493 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.84 -164.56 0.47 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -53.98 23.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.624 0.25 . . . . 0.0 110.902 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.31 -94.06 0.88 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 19.5 p -114.92 113.36 24.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 0.0 110.38 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.56 142.81 3.23 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.086 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -107.53 124.02 49.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.397 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.32 174.51 5.9 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.787 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . 0.405 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 76.4 Cg_exo -47.65 -179.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.84 2.36 . . . . 0.0 113.694 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.15 110.91 3.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.205 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.86 -85.69 0.4 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.82 49.24 0.91 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.425 0.631 . . . . 0.0 110.798 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.24 128.19 43.48 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 91.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.786 0.327 . . . . 0.0 110.61 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.4 102.87 9.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.365 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.06 -146.7 13.3 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.03 71.65 0.57 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -52.0 140.44 20.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.887 0.375 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.45 -47.27 0.66 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 171.28 130.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.96 94.2 3.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.535 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.63 98.63 6.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.369 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.47 -177.55 5.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 111.399 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.93 135.11 12.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.803 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.26 -177.84 6.84 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.42 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.2 165.52 7.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.813 0.34 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.33 128.89 3.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.57 88.49 2.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.86 48.4 0.02 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.42 133.11 42.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.586 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.26 33.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.1 m -130.11 114.54 15.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.374 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t 65.34 85.98 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.652 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.598 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.775 0.321 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.96 115.02 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.757 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -118.36 127.8 54.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.677 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -148.02 124.4 10.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.404 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.44 -54.64 7.8 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.304 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.27 -171.22 2.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.932 0.396 . . . . 0.0 110.911 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 65.73 69.42 1.35 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' H' ' 49' ' ' GLY . 88.0 m-85 28.77 78.28 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 O-C-N 124.209 0.594 . . . . 0.0 111.83 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.39 -63.02 3.96 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -138.95 80.34 1.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.79 0.329 . . . . 0.0 110.268 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 21.3 t -138.92 127.59 23.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.918 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 62.2 m -131.33 166.65 20.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 57.89 49.27 12.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.81 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 73.0 m -61.0 -39.38 89.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.433 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 91.6 p -150.87 159.67 44.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.535 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -142.43 128.68 19.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.77 -152.29 48.4 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.04 115.0 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.408 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.87 153.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.883 0.373 . . . . 0.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.78 108.01 20.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.294 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.81 104.6 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -119.44 128.14 53.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.04 -164.54 0.5 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -54.02 22.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.569 0.223 . . . . 0.0 110.89 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.28 -94.15 0.89 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 19.6 p -114.79 113.43 24.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.413 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.58 142.88 3.23 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.05 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 67.5 m -107.67 124.05 49.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.356 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.33 174.52 5.87 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.786 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . 0.405 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 76.0 Cg_exo -47.72 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.819 2.346 . . . . 0.0 113.665 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.11 111.01 3.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.213 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.74 -85.66 0.4 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.74 49.13 0.91 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.439 0.637 . . . . 0.0 110.817 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.12 128.23 43.35 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.17 91.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.579 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.33 102.93 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.418 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.12 -146.73 13.27 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.04 71.72 0.56 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.13 140.43 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 110.902 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.48 -47.19 0.66 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.22 130.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.29 . . . . 0.0 110.259 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.96 94.16 3.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.59 98.64 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.331 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.52 -177.68 5.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.985 0.421 . . . . 0.0 111.386 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 48.1 t -155.83 135.12 12.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.808 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.28 -177.92 6.9 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.443 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 87.2 p -171.16 165.56 7.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.89 0.376 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -163.36 128.87 3.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.776 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.57 88.65 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.83 48.41 0.02 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.38 133.08 42.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.709 0.29 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.21 33.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.07 114.47 15.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.425 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t 65.34 86.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.594 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.577 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.766 0.317 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.84 115.33 9.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -118.67 127.77 53.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -147.84 125.53 11.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.34 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -74.67 -54.61 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.063 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -132.39 -171.16 2.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.955 0.407 . . . . 0.0 110.819 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 65.72 69.39 1.36 Allowed Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' I' ' 49' ' ' GLY . 87.8 m-85 28.55 79.11 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.195 0.585 . . . . 0.0 111.734 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.96 -63.14 4.1 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -139.08 80.61 1.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.846 0.355 . . . . 0.0 110.208 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 22.2 t -139.18 127.46 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.79 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 61.3 m -131.28 166.6 20.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 57.94 49.27 12.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.73 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.04 -39.34 89.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.419 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 90.7 p -150.93 159.7 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -142.45 128.64 19.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.84 -152.28 48.55 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.24 114.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.639 0.257 . . . . 0.0 110.475 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 176.07 153.3 0.17 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -99.78 107.94 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.28 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.77 104.58 16.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.4 m -119.31 128.26 53.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.391 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.1 -164.39 0.5 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.14 -54.0 23.71 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.219 -0.192 . . . . 0.0 110.795 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.38 -94.21 0.89 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -114.78 113.39 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -168.58 142.91 3.24 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.8 m -107.31 124.81 50.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.346 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.92 174.41 5.95 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.658 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -47.98 -179.12 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.838 2.359 . . . . 0.0 113.437 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.18 111.35 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.268 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.88 -85.55 0.39 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.44 48.3 0.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.229 0.538 . . . . 0.0 110.792 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.36 128.35 41.45 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.08 91.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.814 0.34 . . . . 0.0 110.539 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.22 102.83 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.508 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.97 -146.54 13.24 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 71.71 0.56 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -52.14 140.74 20.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.046 0.451 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.37 -47.1 0.67 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 171.23 130.38 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.706 0.289 . . . . 0.0 110.236 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.02 94.22 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.524 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.62 98.53 6.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.53 -178.25 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.975 0.417 . . . . 0.0 111.373 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.24 135.19 12.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.895 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.51 -178.72 7.48 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.378 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -170.45 165.67 8.55 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -163.25 129.24 3.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.77 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -141.91 89.78 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.614 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 148.91 48.49 0.02 OUTLIER Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.32 132.94 42.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 0.0 110.587 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.2 33.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.16 114.7 16.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.347 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t 65.23 86.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.599 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.811 0.339 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -138.46 123.16 18.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.5 m -129.77 129.36 44.0 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.5 132.07 14.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.249 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.53 -50.38 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.077 0.465 . . . . 0.0 110.922 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.4 t -132.68 -154.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.218 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.29 54.22 17.76 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.813 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 52.45 -174.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.185 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.53 -54.36 1.34 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -160.63 -78.77 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.595 0.236 . . . . 0.0 110.741 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.1 m -129.67 126.25 37.9 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.901 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -100.2 126.46 46.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.443 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.65 137.71 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.667 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.0 m -132.54 104.0 6.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.48 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.76 110.78 22.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.671 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.97 174.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.69 -161.5 51.22 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 52.54 -177.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.795 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.9 -33.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.39 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -123.07 105.46 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.489 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -94.76 103.98 15.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -120.47 133.28 55.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.754 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.66 -161.45 0.11 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.98 -53.85 14.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.984 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.83 -100.51 1.18 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -116.15 112.79 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.98 0.419 . . . . 0.0 110.55 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.95 152.69 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.381 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -112.71 121.29 44.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.429 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.04 173.7 6.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.999 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' B' ' 72' ' ' PRO . 81.3 Cg_exo -45.19 170.25 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.546 2.164 . . . . 0.0 113.622 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -144.95 111.28 5.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.689 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 124.56 -79.95 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.67 -61.38 1.43 Allowed 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.239 -0.184 . . . . 0.0 110.714 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.51 112.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.3 p 47.75 91.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 m -82.03 110.35 17.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.143 0.497 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.35 -142.84 10.66 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.2 74.4 0.26 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.8 138.58 53.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.7 0.285 . . . . 0.0 110.973 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.75 -45.45 0.68 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.47 132.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.796 0.332 . . . . 0.0 110.198 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.23 95.26 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.7 91.95 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.3 p -147.52 -176.55 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.048 0.451 . . . . 0.0 111.43 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -161.93 141.44 9.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.32 -176.11 5.43 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.143 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -169.7 178.32 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.817 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.5 155.02 31.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.205 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -67.58 0.85 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.831 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.71 103.91 0.18 Allowed Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.766 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.66 159.22 21.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.687 0.279 . . . . 0.0 110.264 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -129.42 140.79 51.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -131.07 125.32 32.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.8 t 59.3 -166.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.546 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.589 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.84 0.352 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -138.59 123.18 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.312 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.7 m -129.82 129.13 43.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 111.345 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.23 132.06 15.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.374 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.77 -50.41 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.811 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.5 t -132.4 -153.28 0.54 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.33 56.36 12.24 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.364 -0.922 . . . . 0.0 111.446 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 50.35 -173.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.495 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.75 -54.52 1.3 Allowed Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -160.73 -79.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.592 0.234 . . . . 0.0 110.63 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.8 m -129.46 126.33 38.47 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.083 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 71.1 m -100.09 126.22 46.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.61 47.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.674 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m -132.53 103.88 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 40.2 t -108.56 110.72 22.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.92 174.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.809 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.59 -161.42 51.05 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.66 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.971 0.415 . . . . 0.0 110.772 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.94 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.357 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -122.94 105.4 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.556 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.74 103.94 15.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.552 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -120.26 133.38 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.744 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.63 -161.34 0.1 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.18 -53.92 15.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.613 0.244 . . . . 0.0 110.812 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.94 -100.65 1.19 Allowed Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.507 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -115.82 112.68 22.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.597 0.237 . . . . 0.0 110.64 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.01 152.26 5.1 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.406 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -112.25 121.21 44.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.369 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.66 173.91 6.72 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.916 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 85.9 Cg_exo -45.01 171.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.629 2.219 . . . . 0.0 113.395 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -146.68 110.55 4.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.845 -1.071 . . . . 0.0 108.64 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.18 -79.69 0.36 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.5 -61.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.715 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.65 113.17 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 90.5 p 47.7 91.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.926 0.393 . . . . 0.0 110.754 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 41.4 m -81.77 110.28 16.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.401 . . . . 0.0 110.964 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.47 -142.45 10.43 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.1 74.54 0.25 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.97 138.82 53.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.916 0.388 . . . . 0.0 110.978 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.69 -45.31 0.69 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.38 132.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.771 0.319 . . . . 0.0 110.249 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.21 95.3 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.6 91.57 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.269 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 59.2 p -147.06 -176.5 5.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.035 0.445 . . . . 0.0 111.482 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 47.2 t -161.9 141.37 9.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.009 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.33 -175.98 5.35 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.313 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 22.5 t -169.74 178.25 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 154.82 31.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.278 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.99 -67.55 0.85 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.79 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.73 103.7 0.18 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.659 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.48 159.04 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.649 0.261 . . . . 0.0 110.407 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.32 140.85 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.7 m -131.04 125.4 33.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.32 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 11.7 t 59.12 -166.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.586 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 66.1 t80 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.521 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.877 0.37 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -138.7 123.15 18.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.247 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -129.75 129.08 43.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 111.405 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.26 132.13 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.332 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.74 -50.56 9.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -132.41 -153.24 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.3 56.33 12.4 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.514 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 50.4 -173.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.551 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.87 -54.52 1.29 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.74 -79.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.547 0.213 . . . . 0.0 110.575 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 70.9 m -129.3 126.41 38.94 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.093 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 71.7 m -100.25 126.25 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.69 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.643 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 62.6 m -132.56 103.88 6.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.516 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.58 110.76 22.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.778 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.88 174.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.42 51.25 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.58 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.382 . . . . 0.0 110.792 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 4.3 t -171.87 -33.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.359 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -122.99 105.49 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -94.91 103.93 15.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.25 133.4 55.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.73 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.76 -161.33 0.11 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -53.99 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.608 0.242 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.05 -100.63 1.18 Allowed Glycine 0 CA--C 1.523 0.539 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.443 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -115.91 112.83 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.633 0.254 . . . . 0.0 110.621 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.09 152.29 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.371 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -112.23 121.25 44.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.392 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.74 173.99 6.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.813 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . 0.421 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 87.3 Cg_exo -45.0 172.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.716 2.278 . . . . 0.0 113.312 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -146.89 110.54 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.61 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.22 -79.57 0.36 Allowed Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.69 -61.4 1.43 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.724 0.297 . . . . 0.0 110.686 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.76 113.18 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 90.3 p 47.6 91.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.972 0.415 . . . . 0.0 110.748 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 41.8 m -81.79 110.45 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.409 . . . . 0.0 110.964 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.42 -142.57 10.5 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.18 74.58 0.24 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.96 138.86 53.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.961 0.41 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.62 -45.3 0.69 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.67 0.271 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 70.3 m -128.16 95.2 4.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.66 91.59 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.244 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 59.1 p -147.01 -176.53 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 111.479 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -161.89 141.47 9.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.004 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.34 -176.07 5.4 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.367 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 22.5 t -169.65 178.24 4.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.915 0.388 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.32 154.98 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.212 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -67.61 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.761 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.67 103.67 0.18 Allowed Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.613 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.57 159.07 21.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.656 0.265 . . . . 0.0 110.373 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.43 140.79 51.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.04 125.3 32.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.341 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 11.6 t 59.29 -166.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.619 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.579 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.8 0.333 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -138.66 123.12 18.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.38 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -129.79 128.93 43.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.349 . . . . 0.0 111.428 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.09 132.1 15.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.311 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.84 -50.63 9.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 110.693 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 15.6 t -132.26 -153.21 0.54 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.5 56.25 12.32 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.492 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' E' ' 49' ' ' GLY . 35.2 m-85 50.41 -173.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.453 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.9 -54.48 1.29 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.78 -79.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 110.566 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -129.32 126.41 38.91 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.065 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.26 126.09 46.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.563 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.4 137.62 46.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.753 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 62.5 m -132.46 103.79 6.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 40.4 t -108.52 110.74 22.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.795 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.9 174.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.65 -161.38 51.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.57 -177.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.779 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -172.07 -33.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.05 105.39 9.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.547 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -94.91 104.03 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -120.5 133.24 55.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.62 -161.36 0.1 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.06 -53.68 15.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.661 0.267 . . . . 0.0 110.932 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.64 -100.53 1.2 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -115.86 112.6 22.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.616 0.246 . . . . 0.0 110.894 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.07 152.41 5.11 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.387 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -112.34 121.42 44.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.329 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.88 173.93 6.65 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.773 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 84.8 Cg_exo -45.01 172.01 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.596 2.197 . . . . 0.0 113.361 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -146.9 110.51 4.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.696 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.17 -79.6 0.36 Allowed Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.159 -1.177 . . . . 0.0 110.159 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.64 -61.58 1.41 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.687 0.279 . . . . 0.0 110.665 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.89 113.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 89.7 p 47.76 91.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.902 0.382 . . . . 0.0 110.738 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 41.2 m -81.64 110.35 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.891 0.377 . . . . 0.0 111.029 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.62 -142.58 10.42 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.17 74.64 0.24 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.84 138.81 52.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.87 0.366 . . . . 0.0 111.081 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.61 -45.14 0.7 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.28 132.48 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.761 0.315 . . . . 0.0 110.226 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -128.1 95.12 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.609 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.56 91.62 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.209 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 58.8 p -147.02 -176.5 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.069 0.461 . . . . 0.0 111.444 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 47.3 t -161.9 141.38 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.973 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.31 -176.1 5.42 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.325 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 22.7 t -169.6 178.21 4.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.888 0.375 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.33 154.93 31.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.185 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.24 -67.39 0.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.804 -0.359 . . . . 0.0 111.838 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.72 103.6 0.18 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.601 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.5 159.04 21.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.671 0.272 . . . . 0.0 110.38 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.38 140.75 51.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.342 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.06 125.24 32.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.305 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 11.8 t 59.31 -166.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.472 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.849 0.356 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -138.64 123.16 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.299 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 97.4 m -129.86 128.98 43.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 111.359 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -150.03 132.8 15.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.331 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.12 -48.3 10.0 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 119.719 -0.792 . . . . 0.0 111.231 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 14.8 t -130.83 -152.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 70.67 49.0 32.27 Favored Glycine 0 C--N 1.343 0.931 0 C-N-CA 118.107 -1.997 . . . . 0.0 112.585 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 53.94 -174.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.377 0.588 . . . . 0.0 109.854 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.49 -53.79 1.3 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -160.62 -81.57 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 68.0 m -128.64 127.18 41.7 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.295 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 73.5 m -101.74 126.22 48.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.112 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.62 47.12 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.662 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 62.5 m -132.52 103.87 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.564 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.65 110.85 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 55.8 174.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.77 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.35 51.3 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.47 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.88 -33.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.361 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -123.06 105.4 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.8 103.87 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.602 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 97.8 m -120.21 133.36 55.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.56 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.07 -162.13 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.49 -54.59 11.1 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.677 0.275 . . . . 0.0 110.558 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.2 -100.51 1.16 Allowed Glycine 0 CA--C 1.522 0.525 0 CA-C-O 119.266 -0.741 . . . . 0.0 111.513 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -116.07 112.05 21.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.687 0.875 . . . . 0.0 110.48 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.34 152.9 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.33 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 95.3 p -112.87 122.68 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 119.178 -0.439 . . . . 0.0 110.18 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.0 173.9 6.5 Favored Pre-proline 0 C--N 1.327 -0.397 0 O-C-N 124.895 1.372 . . . . 0.0 109.351 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . 0.427 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 88.1 Cg_exo -45.01 171.91 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.632 2.221 . . . . 0.0 113.29 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -146.54 114.08 6.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.62 -81.64 0.35 Allowed Glycine 0 CA--C 1.541 1.666 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.82 -60.08 1.6 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.824 0.312 . . . . 0.0 111.022 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.11 113.45 0.01 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 93.6 p 46.61 93.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.136 0.493 . . . . 0.0 110.418 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 42.1 m -82.64 110.68 17.92 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.68 -142.19 10.22 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.91 74.62 0.24 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -57.32 138.63 54.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.916 0.388 . . . . 0.0 111.005 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.89 -43.37 0.75 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 169.23 132.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.85 0.357 . . . . 0.0 110.096 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 70.0 m -128.38 94.75 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.7 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.08 90.71 3.4 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.741 0.651 . . . . 0.0 110.265 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 59.4 p -146.66 -176.81 5.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.016 0.436 . . . . 0.0 111.469 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 47.3 t -161.73 141.37 10.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.962 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.37 -176.12 5.43 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.317 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -169.38 178.6 4.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.88 0.371 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.23 154.83 31.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.143 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -66.04 0.95 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.05 101.71 0.16 Allowed Glycine 0 C--N 1.34 0.794 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.833 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -82.48 159.11 22.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 0.0 110.321 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.39 140.77 51.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -130.91 125.19 32.86 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.175 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 11.9 t 59.61 -166.15 0.19 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.981 0.801 . . . . 0.0 110.403 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.489 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.744 0.306 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -138.68 123.21 18.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.273 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 97.1 m -129.98 129.26 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.971 0.415 . . . . 0.0 111.246 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.27 132.16 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.348 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.76 -50.52 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.813 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -132.38 -153.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.32 56.38 12.18 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.472 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 50.35 -173.93 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.642 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.71 -54.51 1.31 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -160.77 -78.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.565 0.221 . . . . 0.0 110.618 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -129.46 126.47 38.79 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.094 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 71.3 m -100.26 126.21 46.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.51 137.69 46.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 62.9 m -132.53 103.81 6.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 40.2 t -108.57 110.8 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.89 174.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.58 -161.43 51.01 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 52.66 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 110.737 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.92 -33.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.17 105.53 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -95.0 103.97 15.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.607 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -120.11 133.77 55.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.545 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -161.19 0.11 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.15 -54.23 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.649 0.261 . . . . 0.0 110.885 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.21 -100.84 1.18 Allowed Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.505 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -115.6 112.87 22.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.573 0.225 . . . . 0.0 110.529 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.1 152.38 5.07 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.374 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 97.1 p -112.34 121.23 44.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.353 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.8 173.98 6.6 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.726 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . 0.425 ' O ' ' HA ' ' E' ' 72' ' ' PRO . 87.8 Cg_exo -45.07 172.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.715 2.277 . . . . 0.0 113.267 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -146.9 110.51 4.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.598 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.21 -79.7 0.36 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.47 -61.5 1.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.786 0.327 . . . . 0.0 110.596 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.73 113.19 0.01 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 88.9 p 47.6 91.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.958 0.408 . . . . 0.0 110.758 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 42.3 m -81.79 110.46 17.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.997 0.427 . . . . 0.0 110.991 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.42 -142.57 10.5 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.24 74.45 0.26 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.81 138.85 52.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.842 0.353 . . . . 0.0 110.965 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.61 -45.19 0.69 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.35 132.55 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.777 0.323 . . . . 0.0 110.184 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 70.8 m -128.19 95.14 4.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.52 91.55 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.22 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 59.0 p -147.0 -176.4 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.044 0.449 . . . . 0.0 111.477 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 47.2 t -162.01 141.31 9.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.007 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.28 -175.97 5.35 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.412 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.72 178.25 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 154.9 31.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.244 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.12 -67.64 0.85 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.682 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.68 103.75 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.583 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.56 159.03 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.27 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.42 140.74 51.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -130.96 125.41 33.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.362 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 11.8 t 59.22 -166.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.518 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.808 0.337 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 44.0 t -138.62 123.27 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.234 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -129.9 129.1 43.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.95 0.405 . . . . 0.0 111.345 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.21 132.11 15.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.385 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.79 -50.53 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.791 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 15.8 t -132.39 -153.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.33 56.31 12.39 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.487 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 50.55 -173.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.528 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.94 -54.51 1.29 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -160.75 -79.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.599 0.238 . . . . 0.0 110.622 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 70.9 m -129.32 126.37 38.8 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.086 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.14 126.19 46.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.544 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.48 137.6 47.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.752 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 62.4 m -132.48 103.91 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.486 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.69 110.8 22.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.715 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.85 174.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.37 51.3 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.53 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.991 0.424 . . . . 0.0 110.732 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 4.3 t -171.87 -33.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.432 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -122.99 105.44 9.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.83 103.95 15.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.15 133.47 55.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.768 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.86 -161.23 0.11 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -53.96 15.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.619 0.247 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.92 -100.7 1.19 Allowed Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.486 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -115.83 112.76 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.666 0.27 . . . . 0.0 110.598 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.01 152.38 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.386 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -112.3 121.19 44.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.401 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.66 173.96 6.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.821 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . 0.424 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 87.5 Cg_exo -45.09 172.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.659 2.239 . . . . 0.0 113.323 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -146.83 110.54 4.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.635 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.2 -79.64 0.36 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.54 -61.6 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.78 0.324 . . . . 0.0 110.615 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.87 113.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 90.4 p 47.62 91.71 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.933 0.397 . . . . 0.0 110.726 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 42.6 m -81.76 110.36 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.388 . . . . 0.0 110.92 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.39 -142.49 10.47 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.05 74.67 0.24 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.94 138.86 53.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.971 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.64 -45.28 0.69 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.4 132.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 70.3 m -128.19 95.22 4.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.52 91.45 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.256 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 58.8 p -146.89 -176.47 5.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 111.532 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -161.96 141.41 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.953 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.25 -175.94 5.35 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.38 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.74 178.24 4.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.31 154.91 31.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.313 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -67.6 0.85 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.707 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.66 103.74 0.18 Allowed Glycine 0 CA--C 1.525 0.68 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.575 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.52 159.1 21.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.594 0.235 . . . . 0.0 110.397 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.4 140.81 51.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -131.03 125.36 33.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.274 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 11.8 t 59.25 -166.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.517 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.483 179.917 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 CA--C 1.526 0.026 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -138.65 123.25 18.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.275 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -129.83 129.13 43.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.87 0.367 . . . . 0.0 111.373 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.27 132.04 15.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.381 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.71 -50.58 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.767 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 15.6 t -132.4 -153.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.37 56.3 12.38 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.3 -0.952 . . . . 0.0 111.551 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 50.47 -173.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.549 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.89 -54.48 1.29 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.74 -78.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.542 0.211 . . . . 0.0 110.624 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -129.36 126.48 39.0 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.037 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.31 126.18 46.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.547 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.47 137.7 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m -132.6 103.95 6.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.485 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.66 110.79 22.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.93 174.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.72 -161.39 51.37 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.54 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.788 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.9 -33.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.382 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.02 105.42 9.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.536 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.9 103.95 15.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.19 133.54 55.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.799 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.83 -161.31 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -54.04 14.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.644 0.259 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.01 -100.77 1.19 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -115.75 112.84 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.623 0.249 . . . . 0.0 110.627 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.09 152.27 5.04 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.366 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 97.1 p -112.14 121.13 44.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.62 173.94 6.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.843 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . 0.424 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 85.6 Cg_exo -45.08 172.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.56 2.174 . . . . 0.0 113.365 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -146.86 110.62 4.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.649 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.18 -79.73 0.36 Allowed Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.48 -61.47 1.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.87 0.367 . . . . 0.0 110.732 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.8 113.24 0.01 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 90.4 p 47.56 91.78 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.986 0.422 . . . . 0.0 110.693 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 42.2 m -81.73 110.44 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.932 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.46 -142.49 10.45 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.1 74.66 0.24 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.94 138.87 53.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.935 0.398 . . . . 0.0 110.936 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.6 -45.23 0.69 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.39 132.58 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.741 0.305 . . . . 0.0 110.247 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.23 95.09 4.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.619 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.49 91.52 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.293 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 58.7 p -146.92 -176.44 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.499 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -161.96 141.34 9.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.984 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.29 -176.09 5.42 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.326 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.63 178.26 4.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.32 154.9 31.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.324 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.2 -67.67 0.84 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.657 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.62 103.78 0.18 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.583 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.66 158.98 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.665 0.269 . . . . 0.0 110.363 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.29 140.83 51.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -131.09 125.36 32.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.295 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 11.8 t 59.27 -166.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.526 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.808 0.337 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -138.6 123.17 18.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.339 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 99.7 m -129.98 129.1 43.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 0.0 111.315 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.19 132.51 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.342 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.34 -50.95 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.588 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -131.93 -153.16 0.54 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.46 56.25 12.37 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.478 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 50.6 -173.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.528 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.14 -54.69 1.25 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.48 -78.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.644 0.259 . . . . 0.0 110.608 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 71.1 m -129.22 127.36 41.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 72.2 m -101.12 126.03 47.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.389 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.52 137.78 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.63 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -132.49 103.96 6.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.457 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 40.0 t -108.82 110.8 22.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.683 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.88 174.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.75 -161.38 51.46 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.55 -177.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 4.5 t -171.97 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.384 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -123.02 105.43 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.88 103.97 15.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -120.06 133.75 55.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.709 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.99 -161.12 0.11 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.37 -53.98 15.62 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.702 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.05 -100.73 1.19 Allowed Glycine 0 CA--C 1.524 0.613 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.385 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 20.4 p -115.79 112.86 22.61 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.249 -0.18 . . . . 0.0 110.583 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.1 152.31 5.05 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.242 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 97.2 p -112.03 122.1 46.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.223 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.33 173.71 6.88 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.609 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . 0.41 ' O ' ' HA ' ' H' ' 72' ' ' PRO . 89.1 Cg_exo -45.29 172.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.621 2.214 . . . . 0.0 113.243 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -146.95 110.91 5.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.674 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.2 -79.61 0.36 Allowed Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.15 -61.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.467 . . . . 0.0 110.618 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.02 113.4 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 92.3 p 47.49 91.85 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.907 0.384 . . . . 0.0 110.67 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 43.9 m -81.53 110.49 16.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.014 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.5 -142.36 10.37 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.23 74.59 0.24 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.94 139.19 52.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.029 0.442 . . . . 0.0 110.927 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.49 -45.21 0.7 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.37 132.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.702 0.287 . . . . 0.0 110.273 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -128.15 95.27 4.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.559 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -115.56 91.47 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.19 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 60.9 p -147.08 -177.21 5.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.07 0.462 . . . . 0.0 111.482 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -161.21 141.53 10.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.021 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.45 -176.39 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.278 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 22.2 t -169.33 178.34 4.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.26 154.7 31.12 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.307 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.27 -67.62 0.85 Allowed 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.599 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.7 103.51 0.18 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.39 -0.909 . . . . 0.0 111.504 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.4 158.85 21.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.7 0.285 . . . . 0.0 110.488 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -129.31 140.78 51.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.07 125.26 32.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.326 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 11.8 t 59.3 -166.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.542 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.487 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.88 0.371 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.87 140.31 58.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -124.9 129.53 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.425 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -148.76 126.5 11.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.359 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.5 m -67.78 -59.27 3.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.027 0.441 . . . . 0.0 111.402 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.3 t -132.63 -163.77 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.802 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.88 67.96 1.89 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 34.79 79.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.028 0.487 . . . . 0.0 111.621 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.57 -62.65 4.67 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.41 78.46 1.64 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.817 0.342 . . . . 0.0 110.15 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 t -133.75 129.25 36.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.924 0.393 . . . . 0.0 110.993 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.0 m -119.32 151.34 38.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.51 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.65 128.54 54.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.7 m -139.34 34.81 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -70.0 161.88 29.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -125.63 148.46 48.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.612 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.01 -155.67 50.97 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.91 130.39 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.49 111.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.709 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.08 122.36 24.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.47 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.49 105.06 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.595 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -120.34 129.46 53.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.411 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.96 -163.68 0.63 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.97 -55.67 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 0.0 110.954 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.27 -100.07 1.25 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -111.63 111.04 21.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 0.0 110.38 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.62 167.75 15.1 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.385 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.76 125.66 42.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.632 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 173.49 6.71 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.929 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' B' ' 72' ' ' PRO . 83.2 Cg_exo -44.5 167.39 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.463 2.109 . . . . 0.0 113.278 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -140.86 111.43 6.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.956 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.01 -84.84 0.37 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -59.04 1.93 Allowed 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.666 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.67 102.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.84 119.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.5 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m -109.65 100.03 9.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.802 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.86 -147.27 16.13 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.04 72.53 0.43 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -51.64 141.41 16.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.642 0.258 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.52 -47.57 0.67 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.74 0.305 . . . . 0.0 110.306 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.6 m -132.8 93.64 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.58 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.47 97.42 6.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.201 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.5 m -146.42 -179.84 7.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.993 0.425 . . . . 0.0 111.08 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -160.51 126.38 4.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.267 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -141.83 -178.32 5.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.713 0.292 . . . . 0.0 110.546 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -170.59 161.11 7.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.775 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.0 t -163.94 140.68 6.76 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.782 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -142.69 76.55 1.54 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.29 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.72 52.24 0.08 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -97.59 112.74 24.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.695 0.283 . . . . 0.0 110.809 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.12 125.44 33.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.369 . . . . 0.0 110.951 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.38 105.18 8.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.228 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.96 167.81 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.579 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.576 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.868 0.365 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.88 140.35 58.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -124.95 129.59 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.431 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.82 126.52 11.77 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -67.84 -59.74 3.06 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.361 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.19 -163.55 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.68 68.67 1.56 Allowed Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.92 79.26 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.017 0.48 . . . . 0.0 111.67 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.81 -62.71 4.7 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.25 78.39 1.64 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.778 0.323 . . . . 0.0 110.254 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.6 t -133.79 128.77 35.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.114 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.75 151.48 37.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.6 128.59 54.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -139.41 34.82 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.499 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.1 p -69.99 161.88 29.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.614 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.57 148.51 48.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.506 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.97 -155.67 51.01 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.9 130.49 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.61 110.71 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.685 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.79 122.38 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.571 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.45 104.89 16.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.7 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -120.17 129.6 54.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.478 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.17 -163.63 0.67 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.09 -55.62 11.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.668 0.271 . . . . 0.0 110.907 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.38 -100.32 1.27 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 22.0 p -111.23 110.89 21.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.699 0.285 . . . . 0.0 110.444 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.5 167.9 15.21 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.449 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.84 125.48 41.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.661 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.91 173.65 6.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.833 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 89.1 Cg_exo -44.35 169.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.567 2.178 . . . . 0.0 113.066 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -142.67 110.56 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.938 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.03 -84.67 0.37 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.404 ' CZ ' ' OG ' ' B' ' 86' ' ' SER . 0.1 OUTLIER -95.83 -59.19 1.91 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.672 0.272 . . . . 0.0 110.675 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.95 103.19 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.47 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.55 100.06 9.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.8 -146.57 15.29 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.77 72.61 0.41 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.74 141.75 16.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.905 0.383 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.57 0.67 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.13 131.07 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.697 0.284 . . . . 0.0 110.308 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -132.77 93.76 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.41 97.31 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.282 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' SER . . . . . 0.404 ' OG ' ' CZ ' ' B' ' 75' ' ' TYR . 49.9 m -146.31 -179.97 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 111.204 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.45 126.29 4.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.348 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.77 -178.4 5.65 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.696 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.4 p -170.43 161.05 7.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.819 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 40.4 t -163.7 140.77 7.1 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.93 78.22 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.61 52.28 0.07 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.62 112.72 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.18 125.5 33.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.95 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.13 8.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.226 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.96 167.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.532 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 63.1 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.575 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.901 0.381 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.98 140.32 58.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.3 m -124.83 129.55 50.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -148.81 126.57 11.81 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 23.3 m -67.82 -59.79 3.03 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.43 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.27 -163.56 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.799 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.7 68.77 1.52 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.75 79.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.03 0.488 . . . . 0.0 111.733 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.83 -62.71 4.71 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -141.26 78.41 1.64 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 16.7 t -133.82 128.67 35.19 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.178 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 68.6 m -118.72 151.5 37.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.511 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.56 128.63 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -139.47 34.71 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.493 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -69.98 161.91 29.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.6 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.64 148.48 48.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.549 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.0 -155.55 50.87 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -66.96 130.47 43.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.514 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.59 110.71 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.684 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.71 122.34 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.552 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.5 105.02 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -120.15 129.6 54.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.478 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.19 -163.58 0.67 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.08 -55.72 11.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.676 0.274 . . . . 0.0 110.854 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.4 -100.27 1.26 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -111.35 110.94 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.702 0.287 . . . . 0.0 110.405 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.46 167.97 15.22 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.41 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -126.91 125.56 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.533 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.08 173.74 6.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.732 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . 0.437 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 89.4 Cg_exo -44.34 169.11 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.578 2.185 . . . . 0.0 113.005 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -142.75 110.51 5.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.925 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.04 -84.66 0.37 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . 0.406 ' CZ ' ' OG ' ' C' ' 86' ' ' SER . 0.1 OUTLIER -95.85 -59.16 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.623 0.249 . . . . 0.0 110.714 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.02 103.18 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.61 99.96 9.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.71 -146.69 15.55 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 72.52 0.42 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.76 141.81 16.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.39 -47.51 0.68 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 110.344 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.81 93.66 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.547 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.3 97.28 6.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.325 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 86' ' ' SER . . . . . 0.406 ' OG ' ' CZ ' ' C' ' 75' ' ' TYR . 50.0 m -146.31 -179.94 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.167 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -160.43 126.25 4.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.334 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.69 -178.36 5.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.729 0.299 . . . . 0.0 110.671 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.9 p -170.47 161.02 7.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.801 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.8 140.7 6.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.981 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.9 78.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.041 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.5 52.33 0.07 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -97.56 112.6 24.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.712 0.292 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.06 125.47 33.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.004 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.41 105.15 8.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.246 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.94 167.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 62.9 t80 . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.523 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.833 0.349 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -63.0 140.41 58.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -124.95 129.47 50.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.523 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.67 126.53 11.9 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.642 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 22.9 m -67.96 -59.42 3.28 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.37 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.52 -163.58 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.886 0.374 . . . . 0.0 110.772 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.76 68.83 1.49 Allowed Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.94 79.4 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.964 0.449 . . . . 0.0 111.481 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.03 -62.59 4.87 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -141.31 78.39 1.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.831 0.348 . . . . 0.0 110.225 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 17.2 t -133.88 128.73 35.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.226 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.65 151.43 37.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.5 128.54 54.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.523 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 45.3 m -139.42 34.82 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.507 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.97 161.86 29.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.617 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.57 148.48 48.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.03 -155.63 50.91 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.83 130.45 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.743 0.306 . . . . 0.0 110.464 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 28.3 t -170.61 110.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.664 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.71 122.5 24.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.456 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.66 105.01 16.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -120.43 129.36 53.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.644 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.95 -163.57 0.61 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.27 -55.15 13.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.633 0.254 . . . . 0.0 110.93 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.86 -100.04 1.27 Allowed Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.45 110.5 20.97 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.748 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.28 168.03 15.49 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.426 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.83 125.63 42.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.18 173.62 6.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.748 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 89.2 Cg_exo -44.2 169.06 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.626 2.217 . . . . 0.0 113.052 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -142.75 110.45 5.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.936 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.05 -84.52 0.37 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . 0.406 ' CZ ' ' OG ' ' D' ' 86' ' ' SER . 0.1 OUTLIER -95.87 -59.27 1.89 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.662 0.268 . . . . 0.0 110.721 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.03 103.12 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.68 119.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 0.0 110.505 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.31 99.88 9.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.82 -146.76 15.49 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.91 72.66 0.41 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -51.84 141.75 16.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.49 -47.52 0.67 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.07 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.681 0.276 . . . . 0.0 110.31 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.73 93.71 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.486 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.4 97.42 6.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.22 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 86' ' ' SER . . . . . 0.406 ' OG ' ' CZ ' ' D' ' 75' ' ' TYR . 50.0 m -146.38 179.99 7.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.943 0.401 . . . . 0.0 111.121 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.36 126.27 4.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.368 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.78 -178.4 5.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.704 0.288 . . . . 0.0 110.681 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.3 p -170.39 161.04 7.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 110.759 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.76 140.53 6.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.86 78.59 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.99 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.4 52.39 0.07 OUTLIER Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.68 112.58 24.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.09 125.46 33.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.881 0.372 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.38 105.24 8.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.183 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.87 167.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.58 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 62.8 t80 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.471 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.861 0.362 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 37.8 t -62.96 140.3 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -124.91 129.68 50.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.451 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -149.1 127.67 12.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.738 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m -72.45 -54.79 8.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 118.641 -1.224 . . . . 0.0 112.054 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 5.9 t -130.99 -162.96 1.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.207 0.527 . . . . 0.0 111.427 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.18 69.91 1.16 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 31.25 81.92 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 O-C-N 124.551 0.795 . . . . 0.0 110.802 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.35 -64.24 3.77 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -140.76 80.03 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.974 0.416 . . . . 0.0 109.969 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 16.9 t -134.74 128.72 33.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 69.2 m -118.83 151.65 37.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.233 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.7 128.57 54.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 46.0 m -139.36 34.78 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -69.96 161.9 29.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.61 148.48 48.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.95 -155.69 51.04 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.85 130.51 43.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.516 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.62 110.79 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.684 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.84 122.29 23.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.42 104.59 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.739 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -119.97 129.6 54.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.287 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.89 -163.66 0.61 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.0 -56.27 9.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.649 0.261 . . . . 0.0 110.896 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.93 -100.46 1.24 Allowed Glycine 0 N--CA 1.464 0.55 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 21.7 p -111.31 110.51 21.02 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.692 0.29 . . . . 0.0 110.39 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.35 168.08 15.31 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.166 -0.614 . . . . 0.0 111.416 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 66.5 m -127.06 126.16 42.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.52 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.72 173.57 6.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 124.661 1.226 . . . . 0.0 109.392 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . 0.44 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 88.1 Cg_exo -44.55 169.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 122.6 2.2 . . . . 0.0 112.857 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -142.42 114.0 7.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.281 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.81 -85.66 0.39 Allowed Glycine 0 CA--C 1.533 1.182 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' E' ' 86' ' ' SER . 0.1 OUTLIER -95.44 -58.56 2.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.002 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.73 103.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.52 120.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.063 0.459 . . . . 0.0 110.299 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.4 99.69 8.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.063 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.68 -146.47 15.32 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.6 72.89 0.37 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -52.21 141.09 19.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.86 -44.85 0.77 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 168.84 131.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.145 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -132.86 93.2 3.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.628 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -113.87 96.42 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.401 0.438 . . . . 0.0 110.29 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' E' ' 75' ' ' TYR . 49.4 m -145.89 179.92 7.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 0.0 111.165 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -160.42 126.44 4.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.404 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -142.13 -178.54 5.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.52 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 96.4 p -170.02 161.11 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.796 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 40.6 t -162.93 141.05 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.11 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.74 77.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.154 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.32 51.66 0.08 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -96.28 112.4 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -130.94 125.62 33.91 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.035 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.19 105.48 8.59 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.721 0.638 . . . . 0.0 109.755 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.81 167.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.754 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 63.2 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.556 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.848 0.356 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 37.0 t -63.03 140.3 58.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -124.81 129.65 50.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.457 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -148.88 126.67 11.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.656 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -67.82 -59.81 3.01 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.364 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.27 -163.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.803 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.56 69.04 1.4 Allowed Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.61 79.28 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.912 0.419 . . . . 0.0 111.747 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.74 -62.8 4.61 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.409 -1.077 . . . . 0.0 110.409 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -141.26 78.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 0.0 110.249 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 16.8 t -133.83 128.68 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.138 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -118.69 151.49 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.501 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.56 128.51 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.522 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -139.43 35.0 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.45 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -70.07 161.92 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -125.64 148.5 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.96 -155.64 50.99 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.86 130.5 43.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.433 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.6 110.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.662 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.9 122.55 24.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.457 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.66 104.83 16.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.72 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -119.9 129.92 54.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.2 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.4 -163.46 0.7 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.02 -56.07 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.684 0.278 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.58 -100.32 1.25 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 21.8 p -111.11 111.05 21.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.668 0.27 . . . . 0.0 110.335 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.55 168.02 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.464 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 65.9 m -126.92 125.53 41.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.614 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.06 173.65 6.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.758 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 88.8 Cg_exo -44.23 169.09 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.692 2.261 . . . . 0.0 113.036 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -142.8 110.4 5.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.904 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.15 -84.81 0.37 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . 0.41 ' CZ ' ' OG ' ' F' ' 86' ' ' SER . 0.1 OUTLIER -95.6 -59.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.625 0.25 . . . . 0.0 110.663 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.07 103.26 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.43 120.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.378 . . . . 0.0 110.488 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.46 100.03 9.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.79 -146.71 15.46 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.84 72.56 0.42 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.72 141.79 16.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.935 0.398 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.54 0.68 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.03 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.743 0.306 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 18.6 m -132.74 93.65 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.35 97.35 6.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 86' ' ' SER . . . . . 0.41 ' OG ' ' CZ ' ' F' ' 75' ' ' TYR . 50.0 m -146.36 179.98 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 111.121 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -160.38 126.33 4.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.338 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.75 -178.31 5.6 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 120.696 0.284 . . . . 0.0 110.714 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -170.47 161.08 7.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.748 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.89 140.74 6.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.988 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.86 78.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.851 -0.339 . . . . 0.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.33 52.37 0.07 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.69 112.58 24.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.712 0.291 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.07 125.46 33.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.964 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.17 8.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.21 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.9 167.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.618 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 t80 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.555 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.857 0.36 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -62.94 140.21 58.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.803 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.9 m -124.78 129.54 50.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.502 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -148.77 126.49 11.79 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.588 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -67.85 -59.78 3.03 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.358 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.33 -163.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.714 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.72 68.78 1.51 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 33.84 79.29 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.974 0.455 . . . . 0.0 111.753 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.9 -62.68 4.76 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.31 78.4 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.799 0.333 . . . . 0.0 110.168 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 16.6 t -133.86 128.7 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.092 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -118.7 151.5 37.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.574 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.55 128.43 54.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 46.0 m -139.32 34.91 2.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.491 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 83.1 p -70.03 161.87 29.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -125.61 148.42 48.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.09 -155.65 50.83 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.9 130.42 43.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.53 110.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.84 122.42 24.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.541 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.53 104.96 16.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 93.3 m -120.06 129.59 54.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.462 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.23 -163.48 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.12 -55.75 11.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.708 0.289 . . . . 0.0 110.893 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.35 -100.34 1.27 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.23 110.86 21.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.671 0.272 . . . . 0.0 110.435 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.4 168.01 15.28 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.487 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 65.7 m -126.88 125.6 41.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.616 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.09 173.64 6.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.799 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . 0.441 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 89.2 Cg_exo -44.25 169.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.612 2.208 . . . . 0.0 112.992 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -142.78 110.38 5.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.956 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.19 -84.6 0.37 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . 0.41 ' CZ ' ' OG ' ' G' ' 86' ' ' SER . 0.1 OUTLIER -95.8 -59.35 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.665 0.269 . . . . 0.0 110.619 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.12 103.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 110.476 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.51 99.96 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.75 -146.61 15.39 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 72.56 0.42 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -51.69 141.75 16.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.42 -47.53 0.68 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.09 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.669 0.271 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -132.76 93.64 3.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.548 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.36 97.33 6.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.293 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 86' ' ' SER . . . . . 0.41 ' OG ' ' CZ ' ' G' ' 75' ' ' TYR . 50.2 m -146.28 -179.9 7.06 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.149 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.48 126.27 4.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.294 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.76 -178.35 5.62 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 95.8 p -170.43 161.07 7.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.789 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 40.2 t -163.77 140.75 7.0 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.99 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.98 78.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.27 52.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.67 112.57 24.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.04 125.46 33.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.39 105.13 8.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.199 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.95 167.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.438 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.867 0.365 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 37.4 t -62.96 140.25 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -124.79 129.64 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.435 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -148.88 126.61 11.78 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.55 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 23.2 m -67.97 -59.77 3.01 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.326 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.27 -163.53 1.35 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.913 0.387 . . . . 0.0 110.708 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.67 68.78 1.52 Allowed Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 33.81 79.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.014 0.479 . . . . 0.0 111.697 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.79 -62.77 4.66 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.24 78.43 1.64 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.786 0.327 . . . . 0.0 110.213 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 17.0 t -133.9 128.59 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.122 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.64 151.56 37.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.59 128.48 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 46.2 m -139.36 34.79 2.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.98 161.93 29.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -125.62 148.45 48.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.98 -155.65 50.98 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.91 130.49 43.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.8 0.334 . . . . 0.0 110.455 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.59 110.72 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.727 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.7 122.36 23.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.572 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.56 104.96 16.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.682 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 94.1 m -120.14 129.71 54.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.387 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.31 -163.49 0.68 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.17 -55.69 11.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.617 0.246 . . . . 0.0 110.896 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.37 -100.41 1.28 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.27 110.9 21.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.638 0.256 . . . . 0.0 110.43 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.46 168.02 15.16 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.42 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 66.0 m -126.88 125.55 41.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.616 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.04 173.61 6.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.716 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . 0.439 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 88.7 Cg_exo -44.3 169.19 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 122.612 2.208 . . . . 0.0 113.045 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -142.85 110.54 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.892 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.19 -84.71 0.37 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' H' ' 86' ' ' SER . 0.1 OUTLIER -95.7 -59.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.633 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.02 103.32 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.42 120.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 0.0 110.489 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.45 99.92 9.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.71 -146.62 15.46 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.86 72.73 0.4 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -51.91 141.83 16.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.964 0.412 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.48 0.68 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.11 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.75 0.31 . . . . 0.0 110.297 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -132.73 93.66 3.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.38 97.34 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.242 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' H' ' 75' ' ' TYR . 49.9 m -146.3 -179.95 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.21 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -160.46 126.27 4.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.36 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.76 -178.33 5.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.703 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 96.1 p -170.51 161.03 7.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 110.789 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.77 140.67 6.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.004 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -142.94 78.88 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.996 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.22 52.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -97.67 112.49 24.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.721 0.296 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.03 125.49 33.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.944 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.37 105.22 8.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.193 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.83 167.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.547 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.848 0.356 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -62.88 140.31 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.809 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -125.02 129.55 50.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.473 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -148.54 127.83 12.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.548 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 21.9 m -69.43 -59.5 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.084 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 6.6 t -132.61 -163.48 1.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.662 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.63 68.8 1.5 Allowed Glycine 0 CA--C 1.521 0.417 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 33.65 79.82 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.9 0.412 . . . . 0.0 111.598 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.12 -62.84 4.71 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.374 -1.091 . . . . 0.0 110.374 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -141.42 78.77 1.65 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.81 0.338 . . . . 0.0 110.195 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 17.7 t -134.25 128.66 34.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.903 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 68.9 m -118.71 151.5 37.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.517 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.52 128.44 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 47.0 m -139.35 34.89 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.459 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.95 161.89 29.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.63 148.5 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.528 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.92 -155.66 51.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.85 130.42 43.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.751 0.31 . . . . 0.0 110.51 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.53 110.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.692 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.82 122.44 24.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.508 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.7 104.95 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.631 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 94.4 m -120.01 129.81 54.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.419 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.47 -163.32 0.7 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.44 -55.58 12.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.186 -0.206 . . . . 0.0 110.748 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.24 -100.51 1.3 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 22.0 p -111.18 110.87 21.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.47 168.03 15.14 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.279 -0.569 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -126.69 126.15 43.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.509 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.36 173.62 6.57 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.617 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . 0.421 ' O ' ' HA ' ' H' ' 72' ' ' PRO . 86.1 Cg_exo -44.7 169.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.521 2.148 . . . . 0.0 112.897 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -142.98 111.01 6.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.308 -0.86 . . . . 0.0 108.957 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.13 -84.48 0.37 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' I' ' 86' ' ' SER . 0.1 OUTLIER -95.35 -59.72 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.969 0.414 . . . . 0.0 110.602 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.59 103.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.5 120.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.471 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -109.46 99.73 8.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.41 -146.57 15.76 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.89 72.66 0.41 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -51.82 142.05 15.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.96 0.409 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.34 -47.48 0.68 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.14 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.679 0.276 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.75 93.67 3.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.573 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.33 97.21 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.224 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' I' ' 75' ' ' TYR . 50.1 m -146.43 179.55 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.14 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -159.89 126.4 4.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.8 -178.69 5.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 110.692 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -170.21 161.02 8.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 40.2 t -163.77 140.87 7.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.003 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -143.17 80.24 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.21 52.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -97.7 112.5 24.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.684 0.278 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.17 125.47 33.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.13 8.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.247 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.94 167.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.569 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.435 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.799 0.333 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.7 t -94.8 160.33 14.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -136.53 133.23 36.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.212 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -149.71 127.77 11.96 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.523 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 t -83.17 -38.12 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.2 t -136.98 137.68 39.74 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.693 0.282 . . . . 0.0 110.841 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.35 73.79 0.85 Allowed Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.305 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 28.23 71.51 0.05 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 124.169 0.57 . . . . 0.0 112.44 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.66 93.92 0.06 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.58 92.48 0.08 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.898 0.38 . . . . 0.0 110.071 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -147.47 154.29 40.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.498 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -143.04 146.51 33.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -126.64 137.56 53.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.337 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -144.99 35.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -61.31 148.44 41.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.26 144.88 43.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.52 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.45 -159.77 51.62 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.91 133.63 55.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.448 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 94.2 p -173.01 114.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.668 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.5 122.8 25.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.13 101.09 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.6 m -117.45 128.37 54.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.543 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.01 -162.29 1.07 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.74 -56.43 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.01 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.46 -97.1 1.13 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.4 p -113.34 110.11 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.357 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.37 164.15 17.45 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.612 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.46 121.8 36.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.307 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.8 p -70.16 170.26 10.79 Favored Pre-proline 0 N--CA 1.464 0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.812 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.69 107.18 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.073 1.849 . . . . 0.0 112.185 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -75.2 113.05 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.094 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.92 -92.99 0.22 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.99 -60.12 1.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.174 -0.21 . . . . 0.0 110.819 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.17 108.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.11 101.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.924 0.392 . . . . 0.0 110.885 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 79.3 m -101.15 100.31 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.329 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.01 -143.9 15.68 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.36 76.05 0.16 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -61.36 137.38 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 111.232 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.06 -45.82 0.69 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t 171.42 132.87 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.38 -71.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.351 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.81 81.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.947 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 t -148.08 -176.66 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.5 127.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.109 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -139.65 -176.46 4.56 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.799 0.333 . . . . 0.0 111.056 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.1 t -155.94 160.57 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.833 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.2 t -135.65 130.42 34.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -143.0 95.75 2.82 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.906 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.58 56.42 0.24 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.93 110.85 23.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.729 0.299 . . . . 0.0 110.571 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -141.01 134.65 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.765 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.85 135.53 43.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.163 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.0 p -149.05 162.89 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.515 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.554 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.713 0.292 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 12.3 t -94.79 160.27 14.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -136.56 133.27 36.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.194 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.67 127.79 12.0 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.9 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 4.6 t -83.46 -38.04 22.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.84 138.03 40.35 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.86 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 106.68 76.0 0.98 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.985 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' B' ' 49' ' ' GLY . 65.4 m-85 25.99 72.03 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.08 93.98 0.06 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.65 92.39 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.47 154.23 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -143.04 146.54 33.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -126.67 137.41 53.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.393 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 91.8 p -144.81 35.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 70.1 m -61.23 148.47 40.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.27 144.83 43.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.56 -159.76 51.47 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.89 133.61 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 94.1 p -173.0 113.98 0.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.705 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.32 122.76 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.12 101.11 12.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -117.21 128.48 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.17 -162.12 1.1 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.9 -56.45 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.599 0.238 . . . . 0.0 110.881 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -97.45 1.16 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 25.2 p -112.94 110.01 19.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.652 0.263 . . . . 0.0 110.373 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.85 17.41 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.671 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 41.5 t -123.07 121.67 36.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.27 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 7.0 p -70.16 170.65 9.54 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.83 106.0 0.2 Allowed 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.235 1.956 . . . . 0.0 112.397 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -74.02 113.52 11.29 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.381 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.9 -92.76 0.22 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.95 -60.16 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 110.784 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.34 109.05 0.01 OUTLIER Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.07 101.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.966 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 82.6 m -100.81 100.0 10.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.81 -143.14 14.21 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.08 76.27 0.15 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -61.55 137.62 58.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.08 0.467 . . . . 0.0 111.29 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.04 -45.58 0.7 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.37 132.88 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.4 -71.08 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.343 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.91 81.64 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.965 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.94 -176.53 5.31 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.45 127.6 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.207 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.62 -176.5 4.58 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.235 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.91 160.43 40.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.42 130.35 34.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.513 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -143.17 96.31 2.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.16 56.82 0.24 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.96 110.72 23.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.73 0.3 . . . . 0.0 110.65 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.67 30.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.747 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.87 135.52 43.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.23 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -148.94 163.0 38.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.501 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.739 0.304 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 12.3 t -94.79 160.3 14.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.53 133.27 36.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.224 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.67 127.68 11.92 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.937 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -83.52 -37.96 22.38 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -136.82 138.03 40.38 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.857 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 106.58 76.09 0.99 Allowed Glycine 0 CA--C 1.523 0.591 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.997 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' C' ' 49' ' ' GLY . 65.7 m-85 25.9 72.04 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.0 93.88 0.06 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.72 92.32 0.08 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.969 0.414 . . . . 0.0 110.073 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 39.8 t -147.47 154.25 40.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.591 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.07 146.58 33.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.624 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -126.71 137.47 53.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.317 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 91.1 p -144.97 35.28 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -61.37 148.52 41.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.55 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.27 144.9 43.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.43 -159.86 51.71 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.8 133.65 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.455 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 94.4 p -173.04 113.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.735 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.26 122.8 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.467 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.12 101.04 11.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 92.7 m -117.21 128.61 55.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.591 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.24 -162.04 1.11 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.96 -56.49 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.578 0.228 . . . . 0.0 110.858 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.77 -97.51 1.15 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -112.97 110.07 19.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.92 17.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.609 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 41.4 t -123.17 121.64 36.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.231 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 6.9 p -70.22 170.79 9.17 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.755 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.84 105.82 0.19 Allowed 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 122.326 2.017 . . . . 0.0 112.389 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.9 113.49 11.12 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.402 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.99 -92.78 0.22 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.85 -60.17 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.35 109.06 0.01 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.02 102.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.392 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 82.3 m -100.8 100.08 10.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.431 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.79 -143.19 14.32 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.24 76.21 0.15 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.59 137.59 58.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.103 0.478 . . . . 0.0 111.207 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.05 -45.59 0.7 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.33 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.37 -71.16 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.362 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.9 81.66 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -147.96 -176.61 5.34 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.8 t -171.36 127.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.22 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.49 4.57 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.242 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.87 160.41 40.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.808 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.37 130.31 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.538 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -143.15 96.41 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.001 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.06 56.88 0.24 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -97.04 110.7 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.77 0.319 . . . . 0.0 110.502 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.93 134.68 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.801 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.87 135.55 43.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.221 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -148.93 162.96 38.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.028 -0.986 . . . . 0.0 110.559 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.812 0.339 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.78 160.37 14.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.033 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 9.3 t -136.73 133.02 35.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.4 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.53 127.72 12.06 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.917 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 4.6 t -83.52 -38.11 22.18 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.968 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.64 138.09 40.78 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.908 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 106.67 76.16 0.99 Allowed Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.009 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' D' ' 49' ' ' GLY . 65.9 m-85 25.94 72.02 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.22 93.99 0.07 OUTLIER Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.68 92.35 0.08 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.987 0.422 . . . . 0.0 110.112 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.43 154.26 40.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.602 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 47.0 t -143.06 146.53 33.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -126.65 137.32 53.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.403 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 91.6 p -144.86 35.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.566 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -61.39 148.39 41.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.18 144.87 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.43 -159.88 51.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.89 133.64 55.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 110.459 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 93.6 p -173.02 114.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.632 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.3 122.95 25.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.3 100.98 11.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -117.33 128.55 55.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.547 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.17 -162.09 1.1 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.99 -56.23 9.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.482 0.182 . . . . 0.0 110.926 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.43 -97.44 1.17 Allowed Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -113.0 109.85 19.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.586 0.231 . . . . 0.0 110.537 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.31 163.92 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.064 -0.655 . . . . 0.0 111.602 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.07 121.66 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.259 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 6.9 p -70.21 170.83 9.04 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.724 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.95 105.91 0.2 Allowed 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.207 1.938 . . . . 0.0 112.45 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.97 113.59 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.309 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.89 -92.8 0.22 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.73 -60.32 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.37 109.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.08 101.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.975 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 84.5 m -100.86 99.95 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.473 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.75 -143.32 14.57 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.23 76.25 0.15 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -61.64 137.84 58.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.1 0.476 . . . . 0.0 111.167 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.91 -45.63 0.7 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.41 132.9 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.714 0.292 . . . . 0.0 110.224 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.34 -71.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.344 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.83 81.72 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.96 -176.56 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -171.44 127.58 0.66 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.246 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.49 4.57 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.2 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.9 160.3 40.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.33 130.34 34.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.469 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -143.32 96.33 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.027 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.19 56.83 0.24 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.94 110.71 23.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.703 0.287 . . . . 0.0 110.586 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.74 30.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.792 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.95 135.53 43.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.186 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -148.98 163.09 38.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.518 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.563 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.726 0.298 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.78 160.26 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -136.57 133.32 36.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.273 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -149.95 128.66 12.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.024 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 4.8 t -84.62 -40.14 17.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.698 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -131.21 137.16 48.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 108.55 71.66 0.73 Allowed Glycine 0 C--O 1.22 -0.746 0 C-N-CA 118.77 -1.681 . . . . 0.0 112.782 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' E' ' 49' ' ' GLY . 68.3 m-85 25.31 76.3 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.268 0.627 . . . . 0.0 111.418 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.82 91.97 0.07 OUTLIER Glycine 0 CA--C 1.519 0.3 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 69.51 92.58 0.08 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.013 0.435 . . . . 0.0 110.008 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 40.1 t -147.58 154.27 40.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.54 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 47.2 t -142.87 146.9 34.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.499 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -126.83 137.52 53.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.469 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 90.6 p -144.92 35.27 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 69.9 m -61.36 148.44 41.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.532 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.18 144.81 43.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.6 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.51 -159.79 51.56 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.9 133.7 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 94.4 p -173.11 114.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.651 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.34 122.73 25.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.527 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.16 100.8 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.09 128.47 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.455 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.8 -162.31 1.0 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -56.97 7.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.591 0.234 . . . . 0.0 110.925 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.06 -97.59 1.14 Allowed Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.463 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -113.13 109.73 19.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.089 0.523 . . . . 0.0 110.236 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.2 164.07 17.85 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.63 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 41.3 t -123.46 122.69 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.165 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 7.6 p -71.37 170.83 10.35 Favored Pre-proline 0 CA--C 1.532 0.267 0 O-C-N 124.741 1.276 . . . . 0.0 109.284 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.69 108.34 0.37 Allowed 'Trans proline' 0 N--CA 1.503 2.048 0 C-N-CA 121.62 1.547 . . . . 0.0 111.821 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -75.38 114.39 13.86 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.071 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.33 -92.66 0.22 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.41 -58.92 1.94 Allowed 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.126 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.63 109.98 0.01 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t 55.91 103.13 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.19 0.519 . . . . 0.0 110.704 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 83.7 m -101.21 100.4 10.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.428 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.12 -142.73 13.61 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.16 75.65 0.17 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.384 -0.687 . . . . 0.0 111.384 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -61.64 137.44 58.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.189 0.519 . . . . 0.0 111.186 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.18 -43.61 0.77 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 169.33 133.24 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.03 0.443 . . . . 0.0 110.053 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.54 -71.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.147 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 53.2 81.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.987 0.805 . . . . 0.0 110.832 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.9 -176.65 5.35 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.41 127.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.188 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -139.68 -176.6 4.62 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 121.434 0.635 . . . . 0.0 111.149 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.14 161.38 41.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.813 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 11.0 t -135.7 130.18 33.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -142.39 94.83 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.88 56.7 0.23 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.17 110.55 22.81 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.812 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -140.91 134.73 30.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.754 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -133.61 135.29 44.12 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.836 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -148.71 163.05 38.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.561 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 71.6 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.573 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.786 0.327 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.83 160.34 14.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -136.52 133.45 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.207 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.84 127.71 11.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.933 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -83.32 -38.23 22.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.964 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.67 138.16 40.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 106.35 76.36 1.02 Allowed Glycine 0 C--O 1.223 -0.534 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.95 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' F' ' 49' ' ' GLY . 65.7 m-85 25.54 72.18 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.11 93.85 0.06 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.74 92.35 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.932 0.396 . . . . 0.0 110.075 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -147.54 154.25 40.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.08 146.54 33.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -126.7 137.4 53.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.436 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 91.1 p -144.83 35.25 1.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.639 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -61.38 148.46 41.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.487 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -115.24 144.83 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.48 -159.86 51.65 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.86 133.68 55.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.443 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 94.0 p -173.02 114.02 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.31 122.8 25.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.478 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.28 101.04 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.16 128.66 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.419 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.26 -161.95 1.1 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -56.66 8.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 110.853 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.76 -97.49 1.15 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 25.4 p -112.88 110.09 19.96 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.43 163.92 17.31 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.568 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.16 121.61 36.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.279 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 7.1 p -70.07 170.77 9.05 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.752 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.89 105.83 0.19 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.277 1.985 . . . . 0.0 112.444 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.93 113.7 11.39 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.306 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.78 -92.99 0.22 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.55 -60.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.788 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.39 109.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t 57.04 102.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 82.4 m -100.82 100.19 10.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.414 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.83 -143.24 14.4 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.23 76.2 0.15 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.61 137.53 58.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 111.252 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.04 -45.58 0.7 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.37 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -104.33 -71.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.358 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.96 81.67 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.97 -176.51 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 111.07 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -171.51 127.63 0.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.105 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.62 -176.38 4.53 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 111.254 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.99 160.38 40.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 11.2 t -135.45 130.4 34.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.511 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.16 96.51 2.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.01 56.74 0.25 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.86 110.63 23.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.73 0.3 . . . . 0.0 110.62 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.63 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.764 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.88 135.58 43.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.229 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 87.6 p -148.96 163.01 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.551 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.533 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.739 0.304 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.75 160.26 14.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.031 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.42 133.21 36.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.27 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.72 127.73 11.92 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.911 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -83.62 -38.03 22.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.964 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 43.3 t -136.74 138.13 40.64 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.853 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 106.61 76.05 0.99 Allowed Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.978 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' G' ' 49' ' ' GLY . 65.3 m-85 25.87 72.17 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.13 93.92 0.06 OUTLIER Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.7 92.36 0.08 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.914 0.388 . . . . 0.0 110.098 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.51 154.19 40.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.578 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.03 146.54 33.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.643 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -126.67 137.43 53.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -144.88 35.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.595 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.9 m -61.4 148.54 41.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.519 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.32 144.88 43.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.46 -159.79 51.62 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.97 133.72 55.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 94.6 p -173.02 114.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.683 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.3 122.83 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.29 101.07 11.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.63 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.22 128.54 55.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.26 -162.05 1.12 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -56.49 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.6 0.238 . . . . 0.0 110.861 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.68 -97.48 1.16 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -112.95 110.01 19.8 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.91 17.4 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.613 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 41.5 t -123.09 121.66 36.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.199 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 6.9 p -70.21 170.83 9.01 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.724 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.88 105.78 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.258 1.972 . . . . 0.0 112.464 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.83 113.56 11.12 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.424 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.0 -92.88 0.22 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.87 -60.17 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.756 0.312 . . . . 0.0 110.865 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.37 109.09 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.04 102.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 83.7 m -100.85 100.02 10.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.73 -143.19 14.31 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.19 76.16 0.15 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -61.65 137.73 58.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.142 0.496 . . . . 0.0 111.161 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.94 -45.57 0.7 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.38 132.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.696 0.284 . . . . 0.0 110.239 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.29 -71.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.395 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.9 81.61 0.08 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.943 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.93 -176.5 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.201 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -171.44 127.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.16 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.68 -176.44 4.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 111.232 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.92 160.42 40.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.43 130.37 34.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.486 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -143.18 96.51 2.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.02 56.86 0.24 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.98 110.81 23.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.619 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -141.0 134.67 30.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.9 135.52 43.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.223 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 87.6 p -148.95 163.07 38.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.546 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.54 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.8 0.333 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.77 160.29 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.49 133.31 36.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.253 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.71 127.7 11.9 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.911 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -83.56 -38.01 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.739 -0.384 . . . . 0.0 112.003 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.82 137.97 40.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 106.73 76.12 0.99 Allowed Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.971 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' H' ' 49' ' ' GLY . 65.6 m-85 25.84 72.13 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.13 93.95 0.06 OUTLIER Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.66 92.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.906 0.384 . . . . 0.0 110.136 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 39.8 t -147.37 154.25 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.559 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 47.4 t -143.01 146.49 33.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.68 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -126.59 137.44 53.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.359 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 89.7 p -144.94 35.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.556 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 70.1 m -61.35 148.46 41.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.23 144.87 43.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.532 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.45 -159.84 51.68 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.86 133.62 55.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.464 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 94.3 p -172.98 114.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.666 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.46 122.82 25.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.438 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.25 101.06 11.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.613 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 92.9 m -117.25 128.55 55.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.18 -161.91 1.07 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.15 -56.39 9.35 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.916 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -97.45 1.16 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -112.99 110.02 19.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.38 163.89 17.43 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.593 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 41.7 t -123.07 121.62 36.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.305 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 6.8 p -70.1 170.86 8.8 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.72 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.93 105.82 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.195 1.93 . . . . 0.0 112.473 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.89 113.65 11.29 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.398 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.94 -92.84 0.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.77 -60.28 1.68 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.47 109.16 0.01 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.04 101.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.989 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 84.0 m -100.73 100.01 10.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.416 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.74 -143.17 14.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.16 76.31 0.15 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.65 137.61 58.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.205 0.526 . . . . 0.0 111.171 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.99 -45.47 0.7 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.33 132.89 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.33 -71.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.382 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.79 81.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -148.0 -176.57 5.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -171.43 127.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.178 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.59 4.61 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.285 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.81 160.4 40.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -135.36 130.33 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.514 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.18 96.49 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.999 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.08 56.78 0.24 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.84 110.62 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.715 0.293 . . . . 0.0 110.653 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.94 134.64 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.803 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.85 135.58 43.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.24 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -148.99 163.05 38.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.549 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.562 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.8 160.19 14.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -136.46 133.28 36.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.308 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -149.53 129.26 13.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.79 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 4.6 t -85.4 -38.31 18.84 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.468 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -136.42 138.13 41.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 106.69 76.09 0.99 Allowed Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.015 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' I' ' 49' ' ' GLY . 64.4 m-85 25.73 73.35 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 178.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.29 93.93 0.08 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.74 92.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.898 0.38 . . . . 0.0 110.071 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.26 154.24 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.529 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 47.0 t -142.99 146.52 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -126.59 137.41 53.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.423 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 91.0 p -144.89 35.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.518 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -61.33 148.46 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.56 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.24 144.78 43.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.55 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.54 -159.76 51.5 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.91 133.59 55.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.463 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 94.0 p -172.98 114.12 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -77.41 122.84 25.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.519 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.33 101.08 11.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -117.03 128.78 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.48 -161.81 1.15 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -56.57 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.739 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.75 -97.67 1.17 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -112.79 110.04 19.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.52 163.98 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.314 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 42.0 t -123.12 122.59 38.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.128 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 7.1 p -71.02 170.91 9.68 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.02 105.93 0.2 Allowed 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 122.3 2.0 . . . . 0.0 112.281 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.93 113.78 11.49 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.408 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.05 -92.72 0.21 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.53 -60.33 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 110.955 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.57 109.37 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.0 102.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 87.5 m -100.54 99.76 10.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.559 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.45 -142.98 13.93 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.14 76.37 0.14 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.62 138.15 58.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.229 0.537 . . . . 0.0 111.052 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.79 -45.45 0.71 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 6.0 t 171.34 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.5 m -104.25 -71.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.336 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.87 81.58 0.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -148.13 -176.98 5.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 111.013 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -171.01 127.65 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.248 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.71 -176.86 4.71 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.133 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 48.2 t -155.54 160.41 40.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t -135.21 130.22 34.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.558 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -143.39 97.07 3.01 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.142 0.496 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 119.64 57.23 0.25 Allowed Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.417 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.87 110.57 23.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.76 0.314 . . . . 0.0 110.73 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -140.98 134.73 30.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.786 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.89 135.54 43.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.177 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -149.0 162.99 38.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.564 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.797 0.332 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -131.41 144.39 51.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.1 m -135.19 132.99 38.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -139.12 141.97 38.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.29 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.63 -52.34 1.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -133.71 127.31 32.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.837 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.25 77.18 0.96 Allowed Glycine 0 CA--C 1.527 0.814 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.373 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 34.09 69.84 0.14 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.11 95.23 0.34 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 68.56 97.03 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 0.0 110.518 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.9 p -163.85 168.23 19.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.38 157.15 39.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.33 131.52 51.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.2 149.9 45.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.623 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.87 130.94 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.464 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.53 152.72 6.37 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.18 132.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.707 0.289 . . . . 0.0 110.61 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 m -118.59 -22.1 7.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.8 126.98 9.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.635 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.46 107.38 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -116.25 129.86 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.11 -161.85 0.49 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.74 -52.49 23.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.7 -111.92 2.43 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -111.24 104.7 13.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.264 0.554 . . . . 0.0 110.194 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -141.46 140.55 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.711 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.7 m -107.05 125.76 51.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.308 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.56 172.94 7.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.069 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HA ' ' O ' ' B' ' 72' ' ' PRO . 69.4 Cg_exo -47.99 179.3 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.778 2.319 . . . . 0.0 113.909 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -147.11 111.76 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.057 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.76 -80.29 0.35 Allowed Glycine 0 CA--C 1.527 0.83 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -123.18 97.05 5.24 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.163 0.506 . . . . 0.0 110.102 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.88 -87.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.317 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -152.16 171.11 18.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.426 . . . . 0.0 111.3 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.0 p -127.95 147.4 50.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.272 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.87 87.6 0.3 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.35 147.25 4.77 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -91.28 55.25 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.042 0.448 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.29 -71.56 0.6 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -166.65 107.94 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 0.0 110.554 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.44 83.31 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.331 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.29 133.18 34.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.709 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -154.73 -175.54 5.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.021 0.439 . . . . 0.0 111.348 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -145.91 119.39 9.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.61 -178.46 7.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -172.22 159.97 4.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.767 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.0 p -163.38 166.33 23.0 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.793 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.55 76.18 0.19 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.313 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.79 47.72 0.1 OUTLIER Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.75 118.44 34.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.629 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -131.18 123.97 29.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.87 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.352 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.55 55.68 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.439 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.521 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.812 0.339 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.3 144.29 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.23 132.79 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -138.73 141.68 38.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.431 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.77 -52.35 1.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.146 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.2 t -133.41 127.76 34.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.775 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.61 79.6 1.16 Allowed Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.0 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.31 70.51 0.09 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.44 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.64 96.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.825 0.345 . . . . 0.0 110.543 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 77.9 p -163.76 168.14 20.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.527 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 92.8 p -153.32 157.18 39.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.598 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.31 131.51 51.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 50.8 m -140.84 23.99 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 70.0 m -71.27 149.99 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.634 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.93 130.98 42.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.443 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.52 152.84 6.44 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.27 132.19 0.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.742 0.306 . . . . 0.0 110.545 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.66 -21.83 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.96 126.86 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.642 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.44 107.35 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -116.15 130.0 56.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.624 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.32 -161.75 0.52 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.92 -52.46 24.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 110.731 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.86 -112.19 2.47 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.03 104.59 13.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.994 0.426 . . . . 0.0 110.213 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.42 140.37 33.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.702 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 69.9 m -106.68 125.64 51.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.375 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.23 173.27 7.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.942 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 78.2 Cg_exo -47.75 -178.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.925 2.417 . . . . 0.0 113.777 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.25 110.75 4.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.053 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.69 -79.99 0.35 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.98 97.04 5.26 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.13 -87.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.479 -0.649 . . . . 0.0 111.479 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -152.05 171.51 17.74 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 66.1 p -128.0 147.77 50.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.223 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.01 87.71 0.3 Allowed Glycine 0 CA--C 1.528 0.844 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.22 147.36 4.8 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -91.14 55.76 2.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.387 . . . . 0.0 110.663 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.57 -71.42 0.58 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.72 107.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.764 0.316 . . . . 0.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.35 83.36 2.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.323 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.31 132.76 34.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.806 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 22.4 m -154.29 -175.5 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.045 0.45 . . . . 0.0 111.343 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -145.85 119.29 9.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.33 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.59 -178.44 7.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 45.9 t -172.17 159.93 5.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.787 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 87.7 p -163.36 166.23 23.17 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.012 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.76 78.07 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.19 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.0 47.77 0.09 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.79 118.31 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.322 . . . . 0.0 110.699 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.23 123.86 29.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.672 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.51 129.88 33.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.354 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.6 55.63 6.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.398 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.637 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.718 0.294 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -131.29 144.2 51.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 92.6 m -135.1 132.79 38.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -138.77 141.64 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.442 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.73 -52.47 1.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.41 127.88 34.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.737 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.51 79.73 1.17 Allowed Glycine 0 CA--C 1.524 0.631 0 C-N-CA 120.411 -0.899 . . . . 0.0 111.998 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.42 70.48 0.09 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.55 95.29 0.37 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.62 96.86 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.901 0.381 . . . . 0.0 110.53 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 78.2 p -163.75 168.27 19.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.507 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.44 157.09 39.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.543 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -126.28 131.56 51.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.84 24.05 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -71.26 149.89 45.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.679 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.75 131.0 42.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.462 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.5 152.78 6.38 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.23 132.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.773 0.321 . . . . 0.0 110.51 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.74 -21.88 7.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.99 126.9 8.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.588 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.48 107.34 8.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.12 130.04 56.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.568 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.29 -161.78 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.96 -52.38 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.658 0.265 . . . . 0.0 110.768 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.84 -112.12 2.46 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.12 104.62 13.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.04 0.448 . . . . 0.0 110.173 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.4 140.53 33.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.662 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 70.5 m -106.91 125.63 51.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.319 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.12 173.31 7.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.92 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' D' ' 72' ' ' PRO . 77.9 Cg_exo -47.72 -178.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.996 2.464 . . . . 0.0 113.73 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.35 110.78 4.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.079 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.74 -79.98 0.35 Allowed Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.03 97.15 5.3 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.1 -87.0 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.07 171.5 17.78 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.256 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 65.3 p -128.03 147.87 50.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.205 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.14 87.81 0.3 Allowed Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.18 147.38 4.81 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -91.22 55.96 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.98 0.419 . . . . 0.0 110.678 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.67 -71.37 0.58 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -166.77 107.93 0.66 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.789 0.328 . . . . 0.0 110.571 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.4 83.36 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.279 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.3 132.69 34.02 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.849 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 22.6 m -154.19 -175.37 5.36 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.35 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.85 119.27 9.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.348 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.52 -178.43 7.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.902 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -172.21 159.84 4.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 87.8 p -163.23 166.34 23.34 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.085 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.8 78.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.16 47.83 0.09 OUTLIER Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.74 118.22 33.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 110.73 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.2 123.95 29.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.667 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.88 33.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.274 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t 56.65 55.63 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.384 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.535 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.82 0.343 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -131.34 144.23 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -135.17 132.73 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.782 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.71 141.63 38.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.412 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.75 -52.54 1.9 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.032 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 45.9 t -133.29 128.07 34.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.761 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.41 79.64 1.17 Allowed Glycine 0 C--O 1.222 -0.604 0 C-N-CA 120.366 -0.921 . . . . 0.0 111.995 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 31.41 70.56 0.09 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.54 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.68 96.86 0.06 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.848 0.356 . . . . 0.0 110.574 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -163.82 168.21 19.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 93.2 p -153.42 157.08 39.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -126.23 131.58 51.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.454 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 50.9 m -140.9 24.1 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.612 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -71.32 149.95 45.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.628 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.86 131.05 42.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.52 152.76 6.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -174.2 132.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.735 0.302 . . . . 0.0 110.564 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.71 -21.78 7.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.01 126.77 8.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.337 . . . . 0.0 110.573 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.41 107.42 8.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -116.44 129.89 56.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.1 -161.79 0.48 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -52.16 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.722 0.296 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.5 -112.02 2.47 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.16 104.32 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.956 0.408 . . . . 0.0 110.391 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.32 140.49 33.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 69.6 m -106.74 125.64 51.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.4 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.27 173.35 7.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.875 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 78.5 Cg_exo -47.69 -178.66 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.916 2.41 . . . . 0.0 113.741 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.4 110.73 4.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.032 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.67 -79.96 0.35 Allowed Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.09 97.07 5.26 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.99 -87.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 43.4 t -151.96 171.54 17.65 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.257 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 66.5 p -127.91 147.78 50.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.476 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.09 87.7 0.3 Allowed Glycine 0 CA--C 1.528 0.869 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.439 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.18 147.4 4.82 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -91.21 56.07 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.673 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.77 -71.39 0.58 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.78 107.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.619 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.4 83.36 2.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.299 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.34 132.65 33.91 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.853 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 22.6 m -154.15 -175.41 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 111.373 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -145.87 119.31 9.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.263 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.51 -178.47 7.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -172.23 159.84 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 87.5 p -163.28 166.23 23.35 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.98 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.84 78.44 0.21 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.28 47.86 0.09 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.76 118.26 33.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.752 0.31 . . . . 0.0 110.755 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.18 123.95 29.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.681 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.91 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.298 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.54 55.65 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.432 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.626 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.805 0.336 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -131.36 144.22 51.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -135.16 132.87 38.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -138.41 141.82 39.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.21 -50.08 1.92 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.589 -0.844 . . . . 0.0 112.129 177.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 47.6 t -131.06 126.04 34.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.856 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.76 72.2 0.63 Allowed Glycine 0 C--O 1.217 -0.939 0 C-N-CA 117.78 -2.152 . . . . 0.0 113.576 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' E' ' 49' ' ' GLY . 12.7 m-85 31.29 75.45 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.37 0.605 . . . . 0.0 110.945 -177.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.08 92.9 0.4 Allowed Glycine 0 CA--C 1.518 0.247 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 69.7 96.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.906 0.384 . . . . 0.0 110.496 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -163.87 168.33 19.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.451 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 91.7 p -153.21 157.31 40.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.401 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -126.22 131.71 51.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.752 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.8 24.03 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -71.26 149.93 45.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.681 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.84 130.89 42.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.486 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 152.72 6.51 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.19 132.27 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.68 -21.79 7.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.06 126.67 8.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.557 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -132.21 106.97 8.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.0 129.95 56.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.91 -162.24 0.48 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.6 -52.84 20.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.693 0.282 . . . . 0.0 110.79 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.13 -112.04 2.41 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.15 104.14 12.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.901 0.381 . . . . 0.0 110.147 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -141.06 141.22 34.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 71.6 m -107.51 126.98 53.2 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.126 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.22 173.26 7.31 Favored Pre-proline 0 C--N 1.328 -0.365 0 O-C-N 124.551 1.157 . . . . 0.0 109.495 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . 0.433 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 77.6 Cg_exo -47.79 -179.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.505 2.193 0 C-N-CA 122.999 2.466 . . . . 0.0 113.538 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -148.73 114.12 5.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.608 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 121.22 -81.33 0.34 Allowed Glycine 0 CA--C 1.543 1.814 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -121.83 95.48 4.68 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 122.755 -0.262 . . . . 0.0 110.31 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -44.97 -86.66 0.01 OUTLIER Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -152.42 171.52 17.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.013 0.435 . . . . 0.0 111.183 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 66.0 p -127.74 147.29 50.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.173 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -128.76 86.17 0.32 Allowed Glycine 0 CA--C 1.542 1.754 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.825 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.48 146.45 4.53 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -90.18 56.95 3.57 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.718 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -113.72 -70.52 0.53 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 48.1 t -167.21 107.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.591 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 6.3 p -121.22 82.53 1.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.215 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -136.99 132.11 33.86 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.803 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 21.4 m -154.08 -176.42 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 111.35 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.24 119.29 9.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.277 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.69 -179.25 8.01 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -170.27 160.39 7.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.781 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 89.9 p -162.75 167.04 23.56 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.205 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.68 77.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.318 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 47.97 0.09 OUTLIER Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -96.34 118.08 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.28 -0.168 . . . . 0.0 110.992 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.33 124.01 29.51 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.609 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.33 129.75 33.95 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.513 0.508 . . . . 0.0 110.017 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.69 55.66 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.502 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.573 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.819 0.342 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m -131.4 144.26 51.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 92.2 m -135.13 132.68 38.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.59 141.63 39.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.85 -52.36 1.89 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.035 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.49 127.67 33.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.753 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 108.66 80.02 1.19 Allowed Glycine 0 C--O 1.222 -0.618 0 C-N-CA 120.384 -0.913 . . . . 0.0 111.902 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' F' ' 49' ' ' GLY . 11.6 m-85 30.85 70.73 0.08 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.57 95.25 0.37 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.65 96.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.833 0.349 . . . . 0.0 110.597 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 77.8 p -163.71 168.19 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.467 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 93.5 p -153.39 157.09 39.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.536 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -126.21 131.52 51.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.464 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.25 149.99 45.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.632 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.89 130.9 42.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.6 152.74 6.44 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -174.17 132.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.731 0.301 . . . . 0.0 110.539 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.73 -21.75 7.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.1 126.87 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.52 107.29 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.04 130.3 56.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.42 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.49 -161.65 0.54 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -52.65 23.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.655 0.264 . . . . 0.0 110.765 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.97 -112.14 2.45 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.04 104.58 13.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.983 0.42 . . . . 0.0 110.19 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -141.39 140.46 33.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.748 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -106.74 125.67 51.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.329 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.29 173.31 7.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.896 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 78.0 Cg_exo -47.64 -178.6 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.992 2.462 . . . . 0.0 113.75 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.46 110.64 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.023 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.69 -80.07 0.35 Allowed Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.63 96.99 5.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.1 -87.06 0.01 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -152.0 171.48 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.208 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 65.2 p -127.97 147.86 50.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.21 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.12 87.75 0.3 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.359 -0.697 . . . . 0.0 111.359 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.12 147.41 4.82 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -91.17 55.98 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.401 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.71 -71.37 0.58 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.75 107.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 110.599 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.32 83.38 2.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.336 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.36 132.61 33.81 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.799 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 22.8 m -154.13 -175.37 5.36 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.378 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.4 t -145.87 119.32 9.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.275 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.55 -178.44 7.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.924 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 46.2 t -172.24 159.86 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.31 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 87.7 p -163.37 166.37 22.99 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.129 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.73 78.15 0.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.188 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.08 47.76 0.09 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.75 118.3 34.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.25 123.91 29.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.659 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.51 129.93 33.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.334 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.5 55.61 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.599 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.805 0.336 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -131.34 144.22 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.15 132.68 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -138.6 141.67 39.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.485 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.77 -52.37 1.9 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.109 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 45.9 t -133.47 127.99 34.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.73 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.41 79.73 1.18 Allowed Glycine 0 C--O 1.222 -0.601 0 C-N-CA 120.403 -0.903 . . . . 0.0 111.944 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.39 70.52 0.09 Allowed 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.52 95.29 0.37 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.67 96.84 0.06 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.801 0.334 . . . . 0.0 110.551 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -163.76 168.24 19.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.489 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -153.43 157.12 39.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.515 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -126.16 131.57 52.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.517 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.92 23.96 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.23 149.95 45.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.608 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.84 130.9 42.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.59 152.7 6.41 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.14 132.28 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.534 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 9.0 m -118.69 -21.88 7.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.96 126.82 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.613 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.36 107.34 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.661 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.14 129.97 56.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.22 -161.7 0.49 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.94 -52.4 24.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.3 . . . . 0.0 110.799 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.74 -112.15 2.47 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.06 104.57 13.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.953 0.406 . . . . 0.0 110.208 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.4 140.47 33.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.69 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 69.8 m -106.7 125.64 51.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.392 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.2 173.32 7.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.875 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . 0.428 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 78.1 Cg_exo -47.75 -178.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.874 2.382 . . . . 0.0 113.766 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.48 110.65 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.023 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.82 -79.9 0.35 Allowed Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.16 97.02 5.23 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.04 -86.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.12 171.55 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.197 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 65.0 p -128.03 147.96 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.226 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.19 87.79 0.3 Allowed Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.14 147.38 4.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -91.19 56.01 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.939 0.4 . . . . 0.0 110.677 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.7 -71.4 0.58 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -166.76 107.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.39 83.31 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.359 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.26 132.55 33.93 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.857 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 22.7 m -154.06 -175.39 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 0.0 111.415 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.9 119.27 8.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.319 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.47 -178.49 7.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.923 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 46.0 t -172.13 159.91 5.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.744 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 87.8 p -163.34 166.32 23.12 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.129 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.82 78.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.16 47.78 0.09 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.68 118.28 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 110.712 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.28 123.89 29.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.694 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.52 129.82 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.63 55.63 6.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.439 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.494 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.811 0.339 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.32 144.2 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.12 132.79 38.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.79 141.56 38.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.441 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.81 -52.28 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.086 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.45 127.89 34.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.741 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.48 79.68 1.17 Allowed Glycine 0 C--O 1.222 -0.627 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.003 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 31.35 70.52 0.09 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.51 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.65 96.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.79 0.329 . . . . 0.0 110.613 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -163.8 168.12 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.463 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.36 157.08 39.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.596 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.19 131.56 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.442 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.86 24.07 2.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -71.27 149.92 45.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.671 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.91 130.95 42.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.62 152.68 6.42 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.11 132.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 0.0 110.532 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.7 -21.8 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.05 126.84 8.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 110.562 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.43 107.36 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.636 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.15 130.12 56.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.35 -161.73 0.52 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.89 -52.42 24.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.681 0.277 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.78 -112.11 2.46 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.06 104.46 13.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.977 0.418 . . . . 0.0 110.223 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.23 140.53 33.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.678 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -106.83 125.62 51.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.291 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.2 173.24 7.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.885 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . 0.426 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 78.3 Cg_exo -47.68 -178.54 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.918 2.412 . . . . 0.0 113.783 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.46 110.77 4.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.032 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.75 -79.96 0.35 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.94 97.02 5.25 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.14 -86.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.19 171.49 17.85 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.214 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 65.6 p -127.94 147.91 50.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.221 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.14 87.84 0.3 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.08 147.36 4.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -91.14 56.06 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.647 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.78 -71.38 0.58 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.75 107.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.41 83.37 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.285 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.29 132.58 33.91 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.854 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 22.7 m -154.16 -175.54 5.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 111.39 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 45.3 t -145.73 119.29 9.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.322 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.55 -178.48 7.37 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.894 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 46.0 t -172.14 159.89 5.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 0.0 110.789 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 88.1 p -163.31 166.27 23.23 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.104 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.79 78.64 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.43 47.82 0.09 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.76 118.27 33.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 110.737 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.22 123.92 29.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.672 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.54 129.82 33.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.6 55.64 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.418 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.615 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.774 0.321 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.29 144.06 51.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.616 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -135.07 132.59 38.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.999 0.428 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -138.8 140.66 38.64 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.581 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.06 -52.62 1.97 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.161 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 45.2 t -133.21 128.31 35.64 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.733 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 108.34 79.59 1.17 Allowed Glycine 0 C--O 1.223 -0.589 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.954 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' I' ' 49' ' ' GLY . 11.4 m-85 31.08 72.11 0.07 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.7 95.31 0.46 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 68.6 96.49 0.06 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 110.577 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -163.4 168.3 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.482 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 92.9 p -153.43 157.1 39.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.494 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -126.21 131.5 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.514 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.601 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.2 149.92 45.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.645 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.97 130.8 42.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.431 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 152.6 6.42 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.01 132.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.526 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.62 -21.98 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.89 126.83 8.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.48 107.35 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.634 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -116.01 130.22 56.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.46 -161.64 0.53 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.02 -52.46 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.564 0.221 . . . . 0.0 110.692 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.87 -112.26 2.48 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 21.1 p -110.85 104.28 12.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.75 0.31 . . . . 0.0 110.194 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.27 140.57 33.91 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.549 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 69.4 m -106.63 126.15 51.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.282 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.54 173.23 7.52 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.69 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . 0.408 ' O ' ' HA ' ' H' ' 72' ' ' PRO . 76.3 Cg_exo -47.99 -178.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.998 2.465 . . . . 0.0 113.498 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -149.49 111.19 4.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.096 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.83 -79.75 0.35 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.84 96.93 5.21 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.8 -86.48 0.01 OUTLIER Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 44.4 t -152.36 171.57 17.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.136 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 62.9 p -127.71 148.41 50.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.21 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.41 88.03 0.3 Allowed Glycine 0 CA--C 1.527 0.803 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.417 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.88 147.59 4.86 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -91.22 56.66 3.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.923 0.392 . . . . 0.0 110.569 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -113.01 -71.35 0.57 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 48.2 t -166.82 108.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.729 0.299 . . . . 0.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.54 83.32 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.295 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -137.19 132.47 33.96 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.652 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 24.1 m -154.15 -176.2 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.971 0.415 . . . . 0.0 111.271 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.11 119.27 9.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.371 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.72 -179.13 7.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.867 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 45.8 t -171.44 160.03 5.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 90.1 p -163.3 166.19 23.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.17 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -166.85 80.11 0.22 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 47.81 0.08 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.85 118.22 33.91 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.707 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -131.32 123.95 29.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.57 129.96 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.314 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.59 55.52 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.457 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.557 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.748 0.309 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.71 118.16 14.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.596 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -120.08 132.33 55.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -149.93 126.29 10.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.5 m -53.93 -54.21 41.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.341 0.591 . . . . 0.0 110.038 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.9 p -132.31 -100.41 0.28 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.244 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.28 50.46 28.88 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.625 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.52 -166.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.515 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.47 -53.07 1.26 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.79 -82.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.402 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.64 127.3 40.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.906 0.384 . . . . 0.0 110.771 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.9 t -100.86 123.73 45.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.195 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -97.53 143.92 27.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 111.045 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.39 26.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.322 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.5 m -86.49 -178.84 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.959 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.53 44.17 21.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.91 -176.35 41.95 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -100.28 26.0 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.366 . . . . 0.0 110.368 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.3 137.04 42.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -94.01 103.9 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -93.89 101.39 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.367 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.5 m -112.67 132.28 55.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.84 -160.25 0.09 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -47.28 -53.37 13.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.102 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.47 -108.93 2.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.0 p -109.66 102.74 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.079 0.466 . . . . 0.0 110.312 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -159.09 177.63 10.89 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.68 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.5 t -131.42 122.2 25.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.229 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.59 173.21 7.75 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.077 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -45.42 171.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.651 2.234 . . . . 0.0 113.577 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.27 112.01 5.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.596 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.1 95.36 0.43 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -178.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 66.42 69.13 0.43 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.484 0.659 . . . . 0.0 110.147 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.32 101.84 2.77 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.09 100.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.033 0.444 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.76 149.65 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.39 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.83 92.92 0.19 Allowed Glycine 0 CA--C 1.528 0.884 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.68 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.44 130.28 2.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -92.2 54.6 2.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 110.779 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.38 68.52 0.53 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.975 0.417 . . . . 0.0 110.871 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.74 88.79 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.145 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.73 122.27 32.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.583 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.4 m -149.79 -179.0 6.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.962 0.411 . . . . 0.0 111.089 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -149.26 143.3 25.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.88 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.27 -175.34 1.39 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.338 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -161.52 170.89 19.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.739 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.3 112.53 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.426 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -121.46 98.11 5.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.934 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.97 53.01 0.1 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.91 104.96 17.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.54 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.28 143.57 37.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.728 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.5 m -133.25 119.76 20.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.447 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.61 -163.18 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.619 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.588 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.676 0.274 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.53 118.21 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.758 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -120.13 132.63 55.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.2 126.18 10.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.245 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.08 -54.38 40.21 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.0 p -132.09 -100.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.21 52.47 22.71 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.373 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.45 -166.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.738 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.83 -53.06 1.22 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.84 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.611 0.243 . . . . 0.0 110.362 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 78.7 p -129.57 127.35 40.52 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.794 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -100.83 123.61 45.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.212 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.37 143.83 27.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.125 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.45 26.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.363 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 60.1 m -86.54 -178.95 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.917 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.55 44.12 21.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.99 -176.3 42.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.3 25.98 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.335 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.29 136.89 42.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.726 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.86 103.88 15.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.587 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -94.0 101.32 13.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.395 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -112.37 132.5 54.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.11 -160.1 0.1 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -47.49 -53.26 14.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.599 0.238 . . . . 0.0 111.014 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.45 -109.11 2.92 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.514 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 27.0 p -109.32 102.49 11.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.683 0.278 . . . . 0.0 110.386 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.92 177.96 10.59 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.709 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.58 122.08 25.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.14 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 173.45 7.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.955 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 81.1 Cg_exo -45.32 173.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.793 2.328 . . . . 0.0 113.391 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -148.86 111.49 4.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.817 -1.083 . . . . 0.0 108.586 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.62 95.37 0.47 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.68 68.83 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.141 0.496 . . . . 0.0 109.955 -178.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.33 101.07 2.69 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.14 99.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 110.718 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.76 150.28 47.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.599 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.22 92.99 0.18 Allowed Glycine 0 CA--C 1.527 0.802 0 C-N-CA 120.976 -0.631 . . . . 0.0 111.586 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.33 130.32 2.89 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -92.14 55.09 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.721 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.83 68.76 0.53 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.901 0.381 . . . . 0.0 110.861 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.75 88.9 2.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.124 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.76 122.22 32.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.54 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.65 -179.01 6.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.009 0.433 . . . . 0.0 111.108 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.23 143.19 25.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.847 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.26 -175.25 1.37 Allowed 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.582 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -161.48 170.81 19.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.718 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.17 112.57 4.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.527 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -121.74 98.93 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.34 53.33 0.11 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.99 104.88 16.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.562 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.29 143.61 37.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.749 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.34 119.76 20.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.494 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.72 -163.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.582 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 56.4 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.547 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.695 0.283 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.52 118.2 14.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.745 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -120.1 132.57 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.23 126.21 10.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.213 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -54.21 -54.26 42.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 7.2 p -132.11 -100.4 0.28 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.08 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.33 52.48 23.2 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.333 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.28 -166.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.786 0.327 . . . . 0.0 110.796 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.93 -52.94 1.22 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.94 -82.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.642 0.258 . . . . 0.0 110.373 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 78.5 p -129.48 127.25 40.48 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.783 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 36.3 t -100.73 123.61 45.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.268 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.49 143.9 27.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 111.046 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.49 26.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.293 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -86.5 -178.89 6.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.44 44.18 21.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.05 -176.28 42.06 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -100.28 26.0 7.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.398 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 69.4 m -54.38 136.89 43.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.85 103.99 16.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.532 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -94.06 101.24 13.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.453 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -112.25 132.56 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.27 -160.0 0.1 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -47.57 -53.2 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.564 0.221 . . . . 0.0 110.994 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.42 -109.17 2.94 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.34 102.44 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.732 0.301 . . . . 0.0 110.366 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.87 178.03 10.52 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.682 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.6 122.05 25.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.166 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.18 173.52 7.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.965 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' D' ' 72' ' ' PRO . 80.6 Cg_exo -45.26 173.35 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.752 2.301 . . . . 0.0 113.381 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.02 111.4 4.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.495 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.8 95.3 0.48 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.62 68.91 0.42 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.214 0.53 . . . . 0.0 109.993 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.31 101.03 2.68 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.19 99.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.059 0.457 . . . . 0.0 110.767 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.69 150.24 47.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.575 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.26 93.02 0.18 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.506 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.31 130.3 2.89 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -92.09 55.17 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.703 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.87 68.66 0.53 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.49 107.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.75 88.88 2.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.095 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.67 122.11 32.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.62 -178.96 6.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.24 143.22 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.917 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.25 -175.32 1.39 Allowed 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.628 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.44 170.8 19.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.71 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.12 112.65 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.464 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -121.85 99.06 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.43 53.34 0.11 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.95 104.93 16.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.708 0.29 . . . . 0.0 110.629 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.36 143.58 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.74 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 24.3 m -133.3 119.58 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.81 -163.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.615 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.774 0.321 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 44.6 t -136.48 118.31 15.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.789 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 91.9 m -120.26 132.52 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.15 126.25 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.208 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 17.5 m -54.24 -54.15 43.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.982 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 6.7 p -132.31 -100.15 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.15 52.67 21.83 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.402 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.33 -166.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 110.625 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 -53.03 1.21 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.86 -82.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.599 0.237 . . . . 0.0 110.372 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 78.7 p -129.52 127.27 40.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.379 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.84 123.66 45.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.231 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -97.49 143.82 27.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.994 0.426 . . . . 0.0 111.086 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.35 26.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.272 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.9 m -86.53 -178.92 6.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.937 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.46 44.24 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.04 -176.23 42.06 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -100.4 25.99 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.301 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.31 136.85 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.84 103.92 16.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.52 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.01 101.26 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.447 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -112.4 132.46 55.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.962 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.0 -160.12 0.09 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -47.51 -53.01 15.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.569 0.224 . . . . 0.0 111.093 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.15 -109.01 2.93 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.41 102.23 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.712 0.291 . . . . 0.0 110.549 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.74 178.05 10.52 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.748 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 42.5 t -131.6 122.07 25.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.148 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.24 173.53 7.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.903 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 80.3 Cg_exo -45.26 173.36 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.699 2.266 . . . . 0.0 113.455 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.03 111.39 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.483 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.74 95.28 0.48 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.57 69.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.195 0.522 . . . . 0.0 109.955 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.37 101.1 2.69 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.09 99.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.117 0.484 . . . . 0.0 110.854 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.64 150.22 47.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.725 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.25 93.02 0.18 Allowed Glycine 0 CA--C 1.527 0.799 0 C-N-CA 121.012 -0.614 . . . . 0.0 111.606 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.23 130.28 2.9 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -92.06 55.19 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.8 68.65 0.53 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.968 0.414 . . . . 0.0 110.855 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.72 88.92 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.124 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.7 122.16 32.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.644 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 72.3 m -149.69 -178.98 6.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.961 0.41 . . . . 0.0 111.094 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -149.2 143.19 25.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.913 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.28 -175.26 1.37 Allowed 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.651 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.5 170.74 19.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.729 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.1 112.55 4.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.474 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -121.93 99.0 6.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.38 53.45 0.11 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.97 104.75 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.749 0.309 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.28 143.55 37.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.742 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.21 119.67 20.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.77 -163.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.577 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.716 0.293 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -136.57 118.28 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.722 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -120.19 132.41 55.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -149.91 127.14 11.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.31 0.576 . . . . 0.0 110.207 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 16.6 m -56.08 -53.77 52.98 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.122 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 7.4 p -130.56 -100.16 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.696 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 51.22 48.92 45.9 Favored Glycine 0 C--N 1.341 0.832 0 C-N-CA 119.739 -1.22 . . . . 0.0 111.806 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.49 -166.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.16 0.505 . . . . 0.0 110.3 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.64 -52.76 1.18 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -162.63 -84.42 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -128.51 127.52 42.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.895 0.378 . . . . 0.0 110.482 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 33.7 t -101.74 123.69 46.13 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.091 0.472 . . . . 0.0 109.867 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.5 143.91 27.73 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.49 26.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.276 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 60.1 m -86.56 -179.02 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.939 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.65 44.13 21.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.04 -176.26 42.05 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.33 25.92 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.365 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 69.5 m -54.16 136.87 41.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.731 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.86 103.89 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.07 101.33 13.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.413 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -112.36 132.43 55.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.721 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.3 -161.89 0.11 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -46.39 -53.87 10.17 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 120.659 0.266 . . . . 0.0 110.778 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.7 -109.06 2.88 Favored Glycine 0 N--CA 1.466 0.651 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 27.3 p -109.71 102.4 11.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.985 0.462 . . . . 0.0 110.083 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.91 178.13 10.41 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.734 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 41.8 t -131.98 122.93 26.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 118.822 -0.608 . . . . 0.0 110.148 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.19 173.54 7.14 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 125.23 1.582 . . . . 0.0 109.325 -178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . 0.422 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 83.0 Cg_exo -45.57 173.59 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.681 2.254 . . . . 0.0 113.27 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.74 114.15 5.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.627 -1.17 . . . . 0.0 107.913 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.19 95.16 0.37 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 67.51 67.57 0.38 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.499 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.36 104.51 3.05 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 119.729 -1.224 . . . . 0.0 110.101 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.99 101.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.467 0.651 . . . . 0.0 110.589 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.39 149.89 49.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.427 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.46 91.2 0.18 Allowed Glycine 0 CA--C 1.536 1.401 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.754 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.83 129.44 2.78 Favored Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -90.42 55.44 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.976 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.54 68.83 0.52 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.9 108.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.96 0.41 . . . . 0.0 110.662 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.9 87.94 2.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.067 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.37 121.25 30.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.519 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 72.6 m -149.28 -179.1 6.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.059 0.457 . . . . 0.0 111.084 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.13 143.18 25.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.886 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.32 -175.19 1.35 Allowed 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.536 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.02 171.32 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.731 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.32 112.54 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.782 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -121.14 98.21 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.9 52.72 0.1 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -96.12 104.77 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.649 0.262 . . . . 0.0 110.742 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.31 143.51 37.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.741 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 23.9 m -133.04 119.47 20.09 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.264 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.84 -163.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 56.2 t80 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.555 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.721 0.296 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.5 118.11 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.709 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 92.3 m -120.02 132.72 55.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.763 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -150.33 126.23 10.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.292 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.19 -54.52 38.74 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.896 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 6.8 p -131.96 -100.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.28 52.54 22.82 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.332 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.26 -166.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.94 -52.98 1.22 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.97 -82.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.6 127.38 40.52 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.818 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.94 123.65 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.189 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.36 143.92 27.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.46 26.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.333 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.8 m -86.5 -178.94 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.52 44.17 21.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.03 -176.26 42.04 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.33 26.02 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.403 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 69.7 m -54.35 136.98 42.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.94 104.02 16.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.16 101.24 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.417 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -112.17 132.67 54.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.28 -159.88 0.1 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -47.48 -53.51 14.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.62 0.248 . . . . 0.0 110.969 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.61 -109.28 2.93 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.23 102.67 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.704 0.287 . . . . 0.0 110.354 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.97 178.12 10.41 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.039 -0.665 . . . . 0.0 111.74 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -131.69 122.0 25.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.128 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.23 173.57 7.3 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.965 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . 0.421 ' O ' ' HA ' ' E' ' 72' ' ' PRO . 81.4 Cg_exo -45.32 173.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.754 2.303 . . . . 0.0 113.377 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.07 111.3 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.779 -1.101 . . . . 0.0 108.49 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.83 95.38 0.48 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.81 68.59 0.41 Allowed 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 121.168 0.509 . . . . 0.0 109.972 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.14 101.09 2.68 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.08 99.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 110.774 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.59 150.28 47.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.625 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.23 93.06 0.18 Allowed Glycine 0 CA--C 1.527 0.842 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.603 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.31 130.3 2.89 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -92.12 55.23 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.956 0.408 . . . . 0.0 110.667 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.91 68.64 0.53 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.45 107.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.928 0.394 . . . . 0.0 110.913 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.77 88.84 2.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.173 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.73 122.14 32.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.65 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 71.8 m -149.53 -178.9 6.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.954 0.406 . . . . 0.0 111.081 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -149.27 143.21 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.861 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.23 -175.14 1.36 Allowed 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 120.311 -0.555 . . . . 0.0 111.624 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.64 170.83 19.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.16 112.5 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.526 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.66 99.04 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.31 53.48 0.11 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.03 104.82 16.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.735 0.303 . . . . 0.0 110.613 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.27 143.58 38.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.722 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 23.9 m -133.24 119.66 20.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.597 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.68 -163.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.605 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.592 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.745 0.307 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 44.6 t -136.57 118.2 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.727 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -120.14 132.59 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.788 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -150.16 126.15 10.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.269 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -54.16 -54.34 41.0 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.955 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 6.9 p -132.08 -100.21 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.11 52.61 21.86 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.393 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.31 -166.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 -53.08 1.2 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.88 -82.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.612 0.244 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.51 127.4 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -100.91 123.59 45.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.228 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -97.48 143.89 27.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.991 0.424 . . . . 0.0 111.047 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.39 26.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.341 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 60.2 m -86.45 -178.97 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.953 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.6 44.05 21.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.871 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.06 -176.33 42.05 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.3 26.02 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.376 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -54.33 137.03 42.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.722 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.96 103.86 15.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.572 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.03 101.29 13.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.466 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -112.28 132.66 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.23 -160.03 0.1 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -47.47 -53.3 14.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.571 0.224 . . . . 0.0 111.05 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.42 -109.07 2.91 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -109.41 102.54 11.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.31 . . . . 0.0 110.332 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.92 178.15 10.39 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.745 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 42.4 t -131.71 121.98 25.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.077 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 173.53 7.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 82.5 Cg_exo -45.34 173.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.829 2.353 . . . . 0.0 113.348 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.01 111.4 4.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.45 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.75 95.39 0.48 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.59 68.88 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.23 0.538 . . . . 0.0 109.962 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.25 101.18 2.7 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.1 99.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.036 0.446 . . . . 0.0 110.779 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.76 150.27 47.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.627 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.21 92.96 0.18 Allowed Glycine 0 CA--C 1.529 0.918 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.536 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.34 130.44 2.9 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -92.21 55.25 2.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.407 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.9 68.66 0.53 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.47 107.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.964 0.411 . . . . 0.0 110.895 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.71 88.92 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.139 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.7 122.07 31.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.675 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.57 -178.89 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.411 . . . . 0.0 111.132 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -149.27 143.16 25.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.854 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.12 -175.16 1.39 Allowed 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.627 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -161.55 170.75 19.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.751 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.11 112.68 4.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.87 99.0 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.36 53.43 0.11 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.97 104.79 16.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.578 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.26 143.6 38.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.761 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 24.6 m -133.3 119.7 20.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.503 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.7 -163.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.518 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.639 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.747 0.308 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.49 118.26 15.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.714 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 92.2 m -120.19 132.61 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.782 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.24 126.27 10.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.243 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.29 -54.32 41.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.949 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 6.9 p -132.01 -100.33 0.29 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.26 52.48 22.91 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.376 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.34 -166.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.78 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.03 -53.11 1.2 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.89 -82.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.617 0.246 . . . . 0.0 110.362 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.49 127.4 40.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.85 123.6 45.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.218 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -97.45 143.9 27.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.4 26.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.301 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 60.5 m -86.45 -179.03 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.935 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.65 44.11 21.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.98 -176.28 42.01 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.26 25.95 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.419 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -54.2 136.92 42.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.9 103.88 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.03 101.27 13.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.422 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.5 m -112.28 132.62 54.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.784 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.16 -159.93 0.1 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -47.62 -53.27 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.518 0.199 . . . . 0.0 110.999 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.45 -109.22 2.94 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.492 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 27.0 p -109.36 102.56 11.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.739 0.304 . . . . 0.0 110.393 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.86 178.08 10.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.75 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.67 122.06 25.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.145 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.26 173.48 7.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.958 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . 0.417 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 81.7 Cg_exo -45.28 173.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.722 2.281 . . . . 0.0 113.372 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.03 111.39 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.544 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.79 95.36 0.48 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.62 68.91 0.42 Allowed 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 121.235 0.541 . . . . 0.0 109.945 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.38 101.1 2.69 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.19 99.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.008 0.433 . . . . 0.0 110.729 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.56 150.35 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.661 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.3 93.04 0.18 Allowed Glycine 0 CA--C 1.528 0.845 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.575 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.3 130.39 2.9 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -92.07 55.27 2.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.937 0.398 . . . . 0.0 110.752 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.92 68.7 0.53 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.49 107.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.0 110.867 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.76 88.92 2.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.068 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.75 122.09 31.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.53 -178.98 6.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.024 0.44 . . . . 0.0 111.159 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -149.18 143.12 25.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.859 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.16 -175.23 1.4 Allowed 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.649 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.7 p -161.52 170.69 19.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.704 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.03 112.61 4.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.554 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.91 99.17 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.21 53.53 0.11 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.0 104.78 16.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 110.573 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.26 143.61 38.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.713 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 24.3 m -133.31 119.69 20.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.491 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.64 -163.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 56.3 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.552 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.698 0.285 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.41 118.68 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.714 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 90.8 m -120.75 132.67 55.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.51 . . . . 0.0 110.697 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.2 127.07 11.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.25 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -55.35 -54.14 47.33 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.805 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 6.2 p -132.03 -99.21 0.3 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.37 52.7 18.09 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.403 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.55 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.892 0.377 . . . . 0.0 110.731 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.66 -53.25 1.14 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.66 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.605 0.241 . . . . 0.0 110.411 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.54 127.71 41.3 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.643 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 35.9 t -101.09 123.64 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.229 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.53 143.84 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 111.095 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.35 26.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.32 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -86.5 -179.04 6.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.907 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 57.68 44.16 21.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.0 -176.27 42.03 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.28 25.94 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.416 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 69.9 m -54.3 137.0 42.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.736 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.91 103.93 16.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -94.19 101.24 13.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.379 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -112.11 132.89 54.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.757 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.48 -159.83 0.11 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -47.8 -53.13 16.39 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.881 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.51 -109.43 2.98 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.442 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 27.6 p -109.25 102.52 11.45 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.99 178.16 10.37 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.407 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -131.56 122.57 26.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.997 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.47 173.39 7.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.771 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' H' ' 72' ' ' PRO . 84.4 Cg_exo -45.51 173.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.71 2.273 . . . . 0.0 113.263 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.16 111.71 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.545 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.65 95.61 0.47 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.58 68.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 109.972 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.84 101.49 2.71 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.86 99.55 0.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 110.602 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.15 150.95 44.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.55 93.14 0.18 Allowed Glycine 0 CA--C 1.528 0.856 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.499 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.18 130.51 2.92 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -92.19 55.75 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.854 0.359 . . . . 0.0 110.593 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.19 68.74 0.52 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.47 107.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 110.862 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.83 88.81 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.112 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.57 122.11 32.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 71.9 m -149.57 -179.3 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.99 0.424 . . . . 0.0 111.193 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -148.94 143.18 26.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.911 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.35 -175.57 1.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.559 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.3 p -161.13 170.8 19.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.8 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.88 112.61 4.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.486 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -122.11 99.74 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.134 0.493 . . . . 0.0 110.748 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.78 53.93 0.11 Allowed Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.344 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.0 104.73 16.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.698 0.285 . . . . 0.0 110.639 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.35 143.58 37.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.79 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.34 119.74 20.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.67 -163.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.532 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.593 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.799 0.333 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.6 t -67.19 137.67 56.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.409 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.2 m -120.39 130.54 54.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.969 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -146.38 124.08 11.86 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.801 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.76 -52.01 16.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 111.439 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -132.47 -179.49 5.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.693 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.03 69.2 1.42 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 31.81 71.03 0.09 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.104 0.532 . . . . 0.0 112.199 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.33 95.16 0.35 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.76 88.82 0.11 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.57 149.31 25.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.46 137.47 42.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.19 105.21 14.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.442 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.4 m -119.85 23.43 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.27 151.63 45.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.68 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -111.2 133.61 53.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.569 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.37 93.48 0.17 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -138.87 146.4 41.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.469 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.3 144.75 46.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.11 58.53 5.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.41 132.46 39.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.448 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.5 m -133.75 134.87 43.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.014 0.435 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 -160.56 0.71 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.36 -62.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.4 . . . . 0.0 111.178 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -94.53 0.9 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.6 p -116.33 112.09 21.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.168 0.508 . . . . 0.0 110.552 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -161.6 133.26 5.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.547 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.2 m -106.88 125.01 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.745 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.94 173.49 7.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.94 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' B' ' 72' ' ' PRO . 61.7 Cg_exo -49.7 -179.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.744 2.296 . . . . 0.0 113.485 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -144.64 111.61 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.207 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.66 -83.5 0.33 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -103.3 -53.24 2.85 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.599 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.84 120.08 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.63 89.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.746 0.308 . . . . 0.0 110.22 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.69 101.57 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.138 0.494 . . . . 0.0 110.841 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.53 -149.55 12.13 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.03 72.88 0.4 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.54 141.44 25.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.15 -47.83 0.7 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.11 133.18 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.6 t -136.19 96.88 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.213 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.96 98.66 6.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.333 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 t -144.5 165.1 28.93 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.475 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.2 m -142.34 116.67 9.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.362 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.58 -177.35 4.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 111.176 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.45 174.95 5.7 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.576 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -147.07 147.31 30.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.158 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -107.38 -76.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.131 0.491 . . . . 0.0 111.213 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.52 67.52 0.96 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.47 116.56 29.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.539 0.209 . . . . 0.0 110.546 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.08 157.27 7.71 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.445 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.3 m -114.51 135.01 54.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.348 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 59.96 -164.58 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.53 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.522 -179.926 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.955 0.407 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 26.1 t -67.06 137.68 56.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.512 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.3 m -120.29 130.66 54.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.062 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.44 124.07 11.81 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.157 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.89 -52.43 14.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 111.425 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -132.1 -178.94 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.793 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.39 70.48 1.24 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.34 71.63 0.07 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.85 95.22 0.39 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.8 88.53 0.11 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.931 0.396 . . . . 0.0 110.118 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.49 149.2 25.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.631 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.44 137.42 42.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -110.15 105.22 14.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 67.5 m -119.92 23.48 11.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.2 m -70.25 151.72 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.721 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -111.3 133.74 53.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.512 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.17 93.71 0.16 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.05 146.42 40.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.73 0.3 . . . . 0.0 110.407 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -135.3 144.73 46.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.05 58.58 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.39 132.4 39.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.487 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 52.7 m -133.52 134.93 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.82 -160.48 0.73 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.57 -62.47 1.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 111.028 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.66 -94.52 0.9 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 21.2 p -116.16 112.15 21.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.888 0.375 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -161.59 133.12 5.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.541 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -106.52 124.91 50.32 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.48 173.83 6.99 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.819 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 70.0 Cg_exo -49.39 -177.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.782 2.321 . . . . 0.0 113.452 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -147.07 110.6 4.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.118 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.65 -83.52 0.32 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -102.7 -53.35 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.698 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.98 120.58 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.25 89.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.733 0.301 . . . . 0.0 110.226 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.36 101.5 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.857 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.67 -149.03 11.83 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.97 72.95 0.39 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.57 141.6 25.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.102 0.477 . . . . 0.0 111.343 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.13 -47.64 0.71 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.14 133.27 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.738 0.304 . . . . 0.0 110.501 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -136.3 96.91 3.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.163 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.95 98.38 6.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.366 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.05 165.14 28.61 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.506 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 64.7 m -142.39 116.61 9.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.403 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.63 -177.42 4.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.005 0.431 . . . . 0.0 111.239 -178.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 79.2 p -169.41 174.98 5.71 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.694 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.98 147.21 30.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.31 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -107.76 -76.81 0.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.075 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.4 67.94 0.96 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.36 116.34 29.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.547 0.213 . . . . 0.0 110.639 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.13 157.0 7.47 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.523 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.9 m -114.19 135.17 54.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.42 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 59.98 -164.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.611 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.908 0.385 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -66.96 137.73 56.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.522 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -120.33 130.55 54.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.025 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -146.37 124.06 11.86 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.233 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.98 -52.41 14.59 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.404 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.06 -178.72 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.872 0.367 . . . . 0.0 110.744 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.23 70.58 1.23 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 30.27 71.72 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.92 95.18 0.39 Allowed Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.96 88.53 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.013 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -155.56 149.17 25.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 42.3 t -135.34 137.46 42.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.18 105.22 14.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 67.6 m -119.9 23.52 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.796 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.2 151.63 45.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.723 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -111.22 133.74 53.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.544 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.25 93.72 0.16 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.14 146.32 40.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 110.395 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -135.26 144.77 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.12 58.5 5.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.4 132.45 39.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.479 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 52.8 m -133.61 134.97 43.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -160.42 0.75 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -62.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.646 0.26 . . . . 0.0 110.995 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.75 -94.64 0.9 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 21.1 p -116.15 112.22 21.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.496 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -161.61 133.2 5.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.494 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -106.53 124.92 50.33 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 173.98 6.76 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.829 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' D' ' 72' ' ' PRO . 72.9 Cg_exo -49.46 -177.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.843 2.362 . . . . 0.0 113.378 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -147.18 110.62 4.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.074 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.64 -83.54 0.32 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -102.77 -53.26 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.675 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.98 120.52 0.01 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.38 89.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.47 101.59 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.7 -149.06 11.83 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.01 72.92 0.4 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.51 141.65 24.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.121 0.486 . . . . 0.0 111.32 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.09 -47.62 0.71 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.09 133.21 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.746 0.307 . . . . 0.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.0 t -136.28 96.9 3.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.218 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.93 98.32 6.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.437 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.03 165.13 28.64 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.499 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 64.9 m -142.33 116.56 9.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.378 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.38 4.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.945 0.402 . . . . 0.0 111.275 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.3 p -169.42 174.96 5.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -146.96 147.21 30.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.265 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.79 -76.95 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.114 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.25 67.99 0.99 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.38 116.33 29.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.592 0.234 . . . . 0.0 110.636 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.07 156.98 7.52 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.533 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -114.2 135.04 54.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.523 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 60.11 -164.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.456 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.591 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.908 0.385 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 25.8 t -67.03 137.8 56.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.533 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -120.47 130.31 54.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.149 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.18 124.2 12.09 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.177 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.13 -52.3 14.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.878 0.37 . . . . 0.0 111.373 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.13 -178.83 5.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.915 0.388 . . . . 0.0 110.807 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.26 70.63 1.22 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.25 71.87 0.06 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.96 95.24 0.4 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.86 88.6 0.11 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.07 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.63 149.2 25.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.4 137.43 42.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -110.16 105.15 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.509 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 68.1 m -119.82 23.52 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.759 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.24 151.67 45.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.727 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -111.19 133.77 53.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.17 93.77 0.16 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -139.16 146.29 40.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.673 0.273 . . . . 0.0 110.455 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 70.7 m -135.28 144.75 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.779 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.24 58.39 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.38 132.57 39.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.377 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 51.9 m -133.99 134.84 42.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.038 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.73 -160.4 0.7 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -62.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.649 0.261 . . . . 0.0 111.024 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.36 -94.53 0.91 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 21.1 p -116.11 112.25 21.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.348 . . . . 0.0 110.695 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -161.76 133.08 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.509 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -106.56 124.84 50.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.801 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 173.95 6.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.874 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 70.4 Cg_exo -49.45 -177.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.798 2.332 . . . . 0.0 113.451 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -147.13 110.56 4.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.125 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.62 -83.49 0.32 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -102.71 -53.42 2.87 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.672 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.15 120.64 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.35 89.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.326 . . . . 0.0 110.231 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.22 101.35 4.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.981 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.67 -149.04 11.84 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.9 73.06 0.38 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.56 141.63 24.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.096 0.474 . . . . 0.0 111.307 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.08 -47.48 0.72 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.01 133.3 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -136.29 96.89 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.183 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.96 98.38 6.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.406 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.11 165.08 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.559 -0.457 . . . . 0.0 111.435 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 64.4 m -142.34 116.6 9.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.351 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.54 -177.16 4.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.903 0.382 . . . . 0.0 111.261 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 78.9 p -169.56 174.87 5.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.679 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -146.89 147.07 30.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.272 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.75 -76.63 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.25 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.51 68.07 0.94 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.37 116.2 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.533 0.206 . . . . 0.0 110.699 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.01 156.98 7.6 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.496 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.18 135.12 54.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.459 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 59.92 -164.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.467 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.615 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.955 0.407 . . . . 0.0 110.641 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 25.9 t -67.07 137.82 56.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.467 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -120.41 130.61 54.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.028 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -146.59 125.04 12.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 111.408 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -76.63 -49.18 16.85 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 119.248 -0.981 . . . . 0.0 111.559 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 7.7 t -130.81 -179.04 5.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.849 0.356 . . . . 0.0 111.284 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 75.0 70.88 1.2 Allowed Glycine 0 C--O 1.222 -0.625 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' E' ' 49' ' ' GLY . 12.1 m-85 26.87 76.44 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.281 0.632 . . . . 0.0 111.151 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.5 92.87 0.44 Allowed Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 68.78 88.77 0.11 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.95 0.405 . . . . 0.0 109.991 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.56 149.27 25.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.561 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.36 137.55 42.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.548 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -110.25 105.23 14.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.504 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 67.8 m -119.89 23.56 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -70.28 151.67 45.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.674 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.19 133.77 53.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.534 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.22 93.63 0.16 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -138.98 146.36 40.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.7 0.286 . . . . 0.0 110.453 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -135.35 144.77 46.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.742 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 48.83 59.1 4.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.72 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.88 132.63 39.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.306 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -133.73 134.92 43.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.18 -161.91 0.72 Allowed Glycine 0 CA--C 1.524 0.609 0 O-C-N 124.389 1.056 . . . . 0.0 110.641 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -45.79 -62.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.686 0.279 . . . . 0.0 111.104 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.94 -94.73 0.9 Allowed Glycine 0 N--CA 1.462 0.409 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 21.2 p -116.21 111.94 20.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.675 0.867 . . . . 0.0 110.337 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -161.36 134.24 6.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.272 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 70.7 m -107.55 126.66 52.81 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.41 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.7 173.9 6.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 O-C-N 124.202 0.939 . . . . 0.0 109.511 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . 0.445 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 66.3 Cg_exo -49.17 -178.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 123.133 2.555 . . . . 0.0 113.353 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -145.9 114.1 6.62 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.857 -1.065 . . . . 0.0 108.494 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 127.3 -84.8 0.33 Allowed Glycine 0 CA--C 1.535 1.286 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -102.23 -52.39 3.15 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.812 0.306 . . . . 0.0 110.904 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.52 120.99 0.01 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 2.5 t 48.17 91.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.45 102.51 6.03 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.611 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.2 -148.78 11.37 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.85 72.82 0.41 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.82 140.86 28.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.256 0.551 . . . . 0.0 111.186 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.56 -44.61 0.82 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 168.8 133.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.851 0.358 . . . . 0.0 110.398 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 14.0 t -136.4 96.35 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.368 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.43 97.2 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.609 0.568 . . . . 0.0 110.286 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -143.45 164.95 28.88 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.441 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 64.8 m -142.32 116.69 9.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.437 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.95 -177.58 5.05 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.131 -178.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 79.6 p -169.16 175.46 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.603 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -147.15 147.15 30.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.326 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -107.53 -76.59 0.61 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.376 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.37 67.45 0.99 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -96.21 115.8 28.0 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.0 -0.118 . . . . 0.0 110.936 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -168.56 157.2 8.55 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.56 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -114.16 134.88 54.6 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.146 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 60.34 -164.54 0.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.621 1.201 . . . . 0.0 110.416 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.55 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.46 0.048 0 CA-C-O 120.962 0.411 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 26.2 t -66.98 137.73 56.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.553 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -120.31 130.7 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.04 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -146.56 124.19 11.81 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.25 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.89 -52.59 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.396 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.01 -178.97 5.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.936 0.398 . . . . 0.0 110.787 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.36 70.79 1.2 Allowed Glycine 0 C--O 1.224 -0.52 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 29.97 71.81 0.06 Allowed 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.98 95.07 0.39 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.98 88.53 0.11 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.885 0.374 . . . . 0.0 110.057 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.52 149.23 25.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 42.3 t -135.47 137.42 42.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -110.14 105.13 14.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -119.8 23.48 11.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 75.5 m -70.32 151.71 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.65 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.29 133.72 53.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.474 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.29 93.62 0.16 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.07 146.41 40.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 110.377 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.34 144.73 46.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.758 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.17 58.54 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.54 132.41 39.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.42 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 53.6 m -133.44 135.23 44.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.99 -160.38 0.77 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.62 -62.7 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.663 0.268 . . . . 0.0 110.886 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.85 -94.74 0.91 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 21.2 p -115.92 112.35 21.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 110.453 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -161.71 133.18 5.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.466 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -106.55 124.79 50.14 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.813 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.45 173.88 6.91 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.855 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 70.8 Cg_exo -49.4 -177.39 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.798 2.332 . . . . 0.0 113.465 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -147.16 110.46 4.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.139 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.68 -83.53 0.32 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -102.53 -53.41 2.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.697 0.284 . . . . 0.0 110.667 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.1 120.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.11 89.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.803 0.335 . . . . 0.0 110.339 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.35 101.62 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.814 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.62 -149.01 11.87 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.9 73.02 0.38 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.59 141.6 25.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.176 0.512 . . . . 0.0 111.237 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.1 -47.67 0.71 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.16 133.27 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.797 0.332 . . . . 0.0 110.542 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t -136.24 96.96 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.137 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.99 98.31 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.405 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.06 165.2 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.511 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 65.0 m -142.39 116.55 9.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.377 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.51 -177.31 4.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.934 0.397 . . . . 0.0 111.334 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.51 174.96 5.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.653 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.96 147.15 30.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.348 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -107.72 -77.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.054 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.18 67.96 1.0 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.27 116.35 29.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.481 0.181 . . . . 0.0 110.62 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.12 157.05 7.51 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.582 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.29 135.21 54.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.464 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 59.89 -164.52 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.493 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.565 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.46 0.043 0 CA-C-O 120.899 0.381 . . . . 0.0 110.655 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 25.9 t -66.92 137.68 56.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.474 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 95.0 m -120.3 130.53 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.028 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.39 124.1 11.87 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.185 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.01 -52.39 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.441 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.08 -178.74 5.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.811 0.339 . . . . 0.0 110.789 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.21 70.56 1.23 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 30.34 71.68 0.07 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.89 95.13 0.39 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.87 88.62 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.885 0.374 . . . . 0.0 110.023 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.56 149.17 25.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.62 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -135.49 137.45 42.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.576 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -110.2 105.15 14.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 67.1 m -119.8 23.51 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -70.33 151.71 44.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.664 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -111.28 133.7 53.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.533 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.26 93.65 0.16 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.01 146.41 40.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.741 0.305 . . . . 0.0 110.422 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 70.5 m -135.3 144.79 46.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.941 0.401 . . . . 0.0 110.694 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.12 58.55 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.835 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.48 132.44 39.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.411 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 53.7 m -133.54 134.99 44.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.82 -160.38 0.72 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.58 -62.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 111.025 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.72 -94.63 0.9 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.076 -0.809 . . . . 0.0 111.076 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 21.0 p -116.11 112.18 21.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.82 0.343 . . . . 0.0 110.506 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -161.64 133.09 5.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.558 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -106.44 124.9 50.3 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.769 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.57 174.03 6.68 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.809 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . 0.437 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 71.7 Cg_exo -49.48 -177.36 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.777 2.318 . . . . 0.0 113.429 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -147.15 110.47 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.168 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.66 -83.43 0.32 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -102.7 -53.46 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.778 -0.248 . . . . 0.0 110.728 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.18 120.61 0.01 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 2.3 t 49.32 89.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.36 101.49 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.831 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.64 -149.02 11.86 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.95 72.99 0.39 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.63 141.68 25.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 111.259 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.06 -47.57 0.71 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.04 133.33 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.844 0.355 . . . . 0.0 110.446 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 13.6 t -136.29 96.94 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.205 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -116.01 98.36 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.393 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 11.3 t -144.03 165.19 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.399 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 64.1 m -142.38 116.6 9.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.391 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.33 4.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.946 0.403 . . . . 0.0 111.325 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 79.0 p -169.46 174.94 5.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.607 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.93 147.14 30.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.342 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.76 -76.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.099 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.25 68.07 0.98 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.4 116.26 29.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.572 0.225 . . . . 0.0 110.614 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -169.06 157.02 7.56 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.558 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -114.16 135.14 54.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.427 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 59.83 -164.45 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.609 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.969 0.414 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -67.01 137.77 56.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.501 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -120.36 130.52 54.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.065 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.36 124.17 11.94 Favored 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.209 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.11 -52.44 14.25 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.327 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.06 -178.85 5.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.89 0.376 . . . . 0.0 110.729 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.31 70.55 1.23 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.24 71.76 0.07 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.92 95.13 0.39 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.87 88.61 0.11 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.59 149.22 25.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.43 137.46 42.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -110.22 105.26 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.444 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 67.4 m -119.91 23.43 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.799 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.21 151.63 45.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.701 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.28 133.66 53.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.509 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.31 93.57 0.16 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -138.94 146.38 40.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.681 0.277 . . . . 0.0 110.5 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.35 144.72 46.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.777 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.15 58.51 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.5 132.51 39.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.367 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 52.0 m -133.62 134.97 43.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.84 -160.29 0.72 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -62.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.638 0.256 . . . . 0.0 111.012 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.69 -94.63 0.91 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 21.2 p -116.18 112.26 21.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.476 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -161.6 133.16 5.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.465 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -106.6 124.89 50.28 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.709 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.49 173.92 6.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.858 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . 0.437 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 70.0 Cg_exo -49.41 -177.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.861 2.374 . . . . 0.0 113.414 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -147.23 110.49 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.141 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.75 -83.52 0.32 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -102.62 -53.4 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.678 0.275 . . . . 0.0 110.727 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.1 120.66 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 2.3 t 49.26 89.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.718 0.294 . . . . 0.0 110.302 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.32 101.61 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.8 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.66 -149.01 11.84 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.98 72.97 0.39 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.61 141.59 25.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.106 0.479 . . . . 0.0 111.327 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.18 -47.64 0.71 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.07 133.35 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.808 0.337 . . . . 0.0 110.464 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 13.8 t -136.31 96.94 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.18 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.98 98.24 6.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.383 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -143.93 165.2 28.41 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.522 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 64.9 m -142.34 116.52 9.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.383 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.44 4.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.947 0.404 . . . . 0.0 111.257 -178.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.34 174.97 5.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.68 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.91 147.14 30.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.311 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -107.76 -76.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.26 68.06 0.98 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.31 116.14 28.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.538 0.209 . . . . 0.0 110.752 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -168.94 156.98 7.72 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.526 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.19 135.18 54.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.443 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 59.97 -164.53 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.544 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.46 0.074 0 CA-C-O 120.938 0.399 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -66.75 137.98 57.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.446 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -120.66 130.44 54.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.042 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -146.2 125.51 13.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -74.71 -52.65 11.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -131.9 -178.8 5.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.852 0.358 . . . . 0.0 110.802 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.35 70.6 1.23 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.12 72.94 0.05 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.034 0.49 . . . . 0.0 112.141 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.04 94.97 0.47 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.9 87.99 0.12 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.921 0.391 . . . . 0.0 110.127 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.02 149.29 26.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.668 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -135.47 137.52 42.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.483 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -110.22 105.25 14.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.455 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 67.8 m -119.94 23.45 11.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 75.1 m -70.18 151.62 45.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.659 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -111.21 133.65 53.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 93.47 0.16 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -138.85 146.5 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.466 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 70.5 m -135.36 144.77 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.941 0.401 . . . . 0.0 110.718 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.15 58.39 5.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.42 132.52 39.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.437 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 52.0 m -133.52 135.29 44.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.09 -160.18 0.77 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.95 -62.54 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.467 0.175 . . . . 0.0 110.912 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.88 -94.78 0.91 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -116.08 112.15 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.47 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -161.65 133.13 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.279 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -106.25 125.44 51.0 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.75 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.88 173.84 6.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.696 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . 0.414 ' O ' ' HA ' ' H' ' 72' ' ' PRO . 77.7 Cg_exo -49.65 -176.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.837 2.358 . . . . 0.0 113.234 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -147.43 111.04 4.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.111 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.78 -83.39 0.32 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -102.31 -53.57 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.728 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.4 120.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.16 89.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.731 0.3 . . . . 0.0 110.216 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.13 101.58 4.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.872 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.61 -148.86 11.82 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.97 73.18 0.37 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.88 142.2 25.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.393 0.615 . . . . 0.0 111.078 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.97 -47.34 0.73 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 170.95 133.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.716 0.293 . . . . 0.0 110.525 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 14.3 t -136.35 96.91 3.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.204 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -116.03 98.28 6.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.311 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 11.6 t -144.02 164.65 30.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 111.512 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 63.0 m -141.82 116.67 9.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.481 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.6 -177.3 4.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.941 0.401 . . . . 0.0 111.309 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 79.2 p -169.5 174.98 5.64 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 5.2 p -146.86 147.09 30.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.403 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -108.21 -77.03 0.6 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.03 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.09 68.51 0.99 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -97.57 116.23 29.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.545 0.212 . . . . 0.0 110.677 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -169.09 156.99 7.51 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.485 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 69.3 m -114.38 135.04 54.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 60.08 -164.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.457 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.532 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.818 0.342 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -130.33 147.66 52.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.646 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.4 p -134.24 135.1 42.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.3 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -143.1 144.63 32.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.07 -53.32 2.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.285 0.565 . . . . 0.0 110.751 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.1 p -132.7 -166.49 1.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.458 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -39.44 3.11 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.445 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.49 -166.62 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.24 -47.38 30.01 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.71 -81.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.945 0.438 . . . . 0.0 110.004 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.5 m -101.67 127.35 48.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.273 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -126.0 131.69 52.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.618 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -92.82 -174.45 3.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.513 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.4 m -138.39 154.76 48.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -163.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.811 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -123.77 24.39 8.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.605 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.0 135.67 2.38 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 53.28 40.86 31.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.685 0.279 . . . . 0.0 110.725 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.87 139.5 46.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.598 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.88 86.03 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.521 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.59 131.4 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.8 m -121.29 127.67 51.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.82 -162.08 0.29 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.29 -57.96 10.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.687 0.28 . . . . 0.0 111.306 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.55 -90.41 0.52 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.4 p -116.31 110.97 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.25 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.89 160.65 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.484 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.2 m -118.36 122.45 42.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.348 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.42 173.29 6.97 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.101 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' B' ' 72' ' ' PRO . 81.0 Cg_exo -43.72 167.16 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.702 2.268 . . . . 0.0 113.562 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -143.26 111.44 6.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.148 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.72 -82.18 0.33 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.88 92.46 3.91 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.212 0.529 . . . . 0.0 110.456 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.77 -91.14 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.46 140.34 27.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.991 0.424 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.34 101.3 2.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.185 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.16 101.13 0.04 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.46 101.4 0.44 Allowed Glycine 0 CA--C 1.518 0.271 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -91.24 -70.61 0.68 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.058 0.456 . . . . 0.0 110.181 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.6 -59.2 1.22 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.46 136.12 16.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.787 0.327 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.36 101.5 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -131.92 126.81 35.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.779 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.4 p -149.31 175.73 11.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.053 0.454 . . . . 0.0 111.238 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t -147.41 125.44 12.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.06 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.92 175.51 13.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.941 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.3 p -170.98 177.55 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.807 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.0 p -162.38 165.59 26.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.264 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -81.09 -72.69 0.41 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.712 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.27 72.72 0.04 OUTLIER Glycine 0 CA--C 1.528 0.848 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.769 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.4 167.92 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.665 0.269 . . . . 0.0 110.538 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.53 145.31 51.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.22 125.19 46.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.319 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 57.2 -163.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.546 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.578 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.803 0.335 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.21 147.59 51.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.739 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 81.6 p -134.29 134.69 42.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.364 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.61 144.29 32.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.749 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.23 -53.11 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.066 0.46 . . . . 0.0 110.711 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 54.4 p -132.97 -166.44 1.76 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.401 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.65 -39.45 3.11 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.493 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.3 -167.1 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.94 -47.38 32.07 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.68 -81.57 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.932 0.43 . . . . 0.0 109.949 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -101.56 127.36 48.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.319 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.91 131.67 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.662 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -92.77 -174.39 3.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.554 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 63.4 m -138.51 154.75 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.2 -162.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.865 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.21 24.35 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.527 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.06 135.63 2.37 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.29 40.78 31.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.736 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.78 139.58 47.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.92 86.07 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.69 131.46 44.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 82.0 m -121.04 127.79 52.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.99 -162.0 0.3 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.4 -57.94 10.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.447 0.165 . . . . 0.0 111.228 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.78 -90.96 0.54 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -115.95 111.01 19.77 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.85 160.6 10.43 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.458 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 61.4 m -118.19 122.24 42.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.88 173.56 6.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.943 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . 0.417 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 83.0 Cg_exo -43.68 168.59 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.726 2.284 . . . . 0.0 113.395 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -144.79 110.47 5.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.193 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.73 -81.95 0.34 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.73 92.48 3.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.819 0.342 . . . . 0.0 110.365 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.84 -90.85 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -145.36 140.32 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.22 100.89 2.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.263 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.96 101.26 0.04 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.43 101.27 0.43 Allowed Glycine 0 CA--C 1.519 0.288 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -91.52 -70.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.188 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.69 -58.98 1.22 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.53 136.27 16.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.746 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.45 101.57 2.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.316 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.16 125.79 32.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -148.18 176.04 10.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.057 0.456 . . . . 0.0 111.311 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 44.6 t -147.43 125.31 11.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.136 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.87 175.54 13.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.388 . . . . 0.0 110.907 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.09 177.47 3.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.757 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 95.2 p -162.2 165.44 26.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -81.16 -72.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.565 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.08 72.53 0.04 OUTLIER Glycine 0 CA--C 1.527 0.794 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.697 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.27 167.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.652 0.263 . . . . 0.0 110.522 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.5 145.29 51.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -121.23 125.3 46.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.256 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 57.18 -163.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.594 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.669 0.271 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -130.2 147.54 51.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.723 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.3 134.75 42.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.302 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -142.67 144.31 32.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.719 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.16 -53.3 2.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.042 0.449 . . . . 0.0 110.85 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 54.3 p -132.85 -166.43 1.75 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.437 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.66 -39.57 3.1 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.459 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.4 -167.09 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.97 -47.38 31.91 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.7 -81.66 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.973 0.455 . . . . 0.0 109.962 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 67.3 m -101.58 127.37 48.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.31 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.93 131.7 52.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.616 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -92.86 -174.36 3.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 62.4 m -138.58 154.72 48.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.821 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -162.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.941 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -124.3 24.38 8.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.05 135.69 2.38 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.33 40.72 31.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 0.0 110.719 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.81 139.56 47.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.85 86.11 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.522 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.69 131.47 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.617 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 80.4 m -121.08 127.88 52.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -161.99 0.32 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.36 -58.04 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.543 0.211 . . . . 0.0 111.199 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.82 -90.92 0.54 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.8 p -115.97 111.05 19.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.85 160.61 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.181 -0.607 . . . . 0.0 111.383 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 59.7 m -118.25 122.38 42.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.329 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.9 173.56 6.75 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . 0.417 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 81.5 Cg_exo -43.62 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.662 2.241 . . . . 0.0 113.414 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -144.9 110.45 5.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.188 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.88 -82.01 0.34 Allowed Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.78 92.56 3.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 0.0 110.307 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.87 -90.73 0.01 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -145.4 140.38 27.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.438 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.25 100.94 2.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.187 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.07 101.29 0.04 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.41 101.23 0.42 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -91.49 -70.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.373 . . . . 0.0 110.182 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.66 -59.05 1.22 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -152.5 136.28 16.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.32 . . . . 0.0 110.767 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.45 101.57 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.34 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -132.18 125.69 31.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.884 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 92.6 p -148.12 176.02 10.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.957 0.408 . . . . 0.0 111.262 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.4 125.35 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.107 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.92 175.45 13.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.922 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -170.99 177.45 3.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.756 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 96.2 p -162.22 165.49 26.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.45 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -81.14 -72.8 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.18 72.48 0.04 OUTLIER Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.622 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.25 167.79 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.73 0.3 . . . . 0.0 110.48 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.52 145.26 51.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -121.22 125.19 46.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.33 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 10.0 t 57.27 -163.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.479 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 66.9 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.535 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.674 0.273 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.21 147.61 51.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.742 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 81.5 p -134.22 134.78 42.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.456 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.63 144.21 32.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.647 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.25 -53.09 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.04 0.448 . . . . 0.0 110.537 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 54.4 p -133.02 -166.35 1.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.488 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -39.48 3.11 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.406 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.55 -166.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.23 -47.35 30.21 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.78 -81.7 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 122.747 0.419 . . . . 0.0 110.012 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 67.9 m -101.5 127.37 48.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.303 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.84 131.73 52.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.671 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -92.84 -174.24 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.452 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.71 154.76 48.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -162.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.872 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.29 24.32 8.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.556 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.03 135.66 2.38 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 53.24 40.77 31.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.834 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 47.6 t -72.86 139.61 47.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.537 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.89 85.93 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.62 131.38 44.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 76.6 m -121.25 127.46 51.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.021 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.78 -161.91 0.27 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.51 -57.64 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.49 0.186 . . . . 0.0 111.197 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.42 -90.8 0.54 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.6 p -115.94 110.7 19.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.579 0.228 . . . . 0.0 110.574 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.7 160.74 10.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.449 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 60.4 m -118.29 122.41 42.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.378 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.92 173.61 6.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.95 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 83.7 Cg_exo -43.69 168.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.713 2.275 . . . . 0.0 113.406 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -144.89 110.4 5.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.242 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.82 -81.89 0.34 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 92.55 3.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 110.4 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.84 -90.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.4 140.54 27.71 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.38 100.96 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.563 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.91 101.08 0.04 OUTLIER Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.41 101.4 0.44 Allowed Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -91.51 -70.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.976 0.417 . . . . 0.0 110.216 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -59.04 1.22 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -152.5 136.31 16.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.48 101.52 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.361 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.12 125.76 32.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 93.0 p -148.18 176.08 10.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 111.309 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t -147.51 125.32 11.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.026 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.9 175.42 13.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.977 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -171.0 177.55 3.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.675 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 95.5 p -162.22 165.43 26.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.507 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -81.15 -72.77 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.584 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.12 72.5 0.04 OUTLIER Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.606 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.33 167.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.712 0.292 . . . . 0.0 110.508 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.48 145.28 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.17 125.17 46.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.32 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 10.0 t 57.25 -163.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.499 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 67.4 t80 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.618 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.784 0.326 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.25 147.57 51.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.739 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 82.2 p -134.35 134.89 42.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.241 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -142.05 144.53 33.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.784 0.678 . . . . 0.0 110.954 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.25 -49.39 2.17 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 119.184 -1.006 . . . . 0.0 112.244 177.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 53.3 p -131.08 -165.81 1.61 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.681 0.753 . . . . 0.0 110.76 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.05 -32.22 3.56 Favored Glycine 0 C--N 1.313 -0.739 0 CA-C-O 118.286 -1.285 . . . . 0.0 111.851 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 167.33 -166.58 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 118.902 1.351 . . . . 0.0 108.605 176.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.85 -44.06 25.99 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 119.42 -1.372 . . . . 0.0 111.109 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.25 -83.72 0.0 OUTLIER 'General case' 0 C--N 1.346 0.453 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 68.0 m -100.65 127.41 47.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.144 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -126.02 131.64 52.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.612 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -92.81 -174.36 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.461 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 63.3 m -138.55 154.7 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.761 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -162.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.934 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -124.11 24.29 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.09 135.69 2.38 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.27 40.73 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 0.0 110.807 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 47.7 t -72.84 139.58 47.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.619 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.82 85.75 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.592 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.52 131.43 44.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.62 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 77.0 m -121.05 127.79 52.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.642 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.52 -162.34 0.28 Allowed Glycine 0 CA--C 1.524 0.638 0 O-C-N 124.002 0.814 . . . . 0.0 111.153 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.23 -58.43 8.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.5 0.19 . . . . 0.0 111.096 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.13 -91.3 0.54 Allowed Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.8 p -115.88 110.58 19.22 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.398 0.705 . . . . 0.0 110.192 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.31 161.02 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.19 -0.604 . . . . 0.0 111.417 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 58.9 m -118.73 123.38 44.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.212 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.86 173.43 6.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 O-C-N 124.75 1.281 . . . . 0.0 109.543 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . 0.42 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 85.0 Cg_exo -43.74 168.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.667 2.245 . . . . 0.0 113.253 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -144.6 114.15 7.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.546 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.42 -82.98 0.33 Allowed Glycine 0 CA--C 1.539 1.588 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.69 90.79 3.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 122.754 -0.262 . . . . 0.0 111.049 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.64 -90.86 0.01 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.57 140.19 27.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.024 0.44 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.46 101.02 3.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.45 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.64 103.06 0.07 OUTLIER Glycine 0 CA--C 1.526 0.78 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.85 102.37 0.63 Allowed Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -90.11 -72.71 0.55 Allowed 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 121.59 0.709 . . . . 0.0 110.6 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.61 -59.27 1.28 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 47.4 t -152.38 136.2 16.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.706 0.289 . . . . 0.0 110.796 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -150.23 100.31 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -131.39 125.03 31.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 93.0 p -148.09 175.68 10.82 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.125 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.38 125.39 12.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.072 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.03 175.27 14.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.888 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 83.7 p -170.14 178.39 3.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 97.5 p -162.63 165.31 25.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.477 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -80.88 -72.43 0.42 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.967 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.83 70.3 0.04 OUTLIER Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.821 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.32 167.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.964 0.382 . . . . 0.0 110.59 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.51 145.3 51.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -121.14 125.17 46.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.138 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 10.1 t 57.3 -163.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.501 0.501 . . . . 0.0 110.494 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 67.1 t80 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.55 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.716 0.293 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -130.28 147.51 52.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.2 134.69 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.356 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -142.51 144.17 32.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.799 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.17 -53.3 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 110.694 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 54.2 p -132.78 -166.41 1.75 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.448 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.59 -39.44 3.11 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.497 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.31 -167.2 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.93 -47.36 32.27 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.72 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 124.015 0.479 . . . . 0.0 109.977 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 67.5 m -101.63 127.35 48.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.28 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.91 131.59 52.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.729 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.77 -174.44 3.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.47 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 63.3 m -138.55 154.73 48.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -162.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.899 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.2 24.27 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.98 135.68 2.38 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.33 40.73 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.338 . . . . 0.0 110.748 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.74 139.75 47.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.609 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.97 86.04 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.79 131.54 44.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 81.4 m -121.1 128.43 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.46 -161.83 0.37 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.35 -58.38 8.76 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.201 -0.199 . . . . 0.0 111.159 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.05 -91.08 0.54 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -115.68 111.23 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.98 160.75 10.27 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.378 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 59.5 m -118.36 122.36 42.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.277 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.92 173.64 6.64 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 82.9 Cg_exo -43.65 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.788 2.325 . . . . 0.0 113.325 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -144.91 110.37 5.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.195 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.91 -81.99 0.34 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.63 92.46 3.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.341 . . . . 0.0 110.384 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.8 -90.87 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.47 140.45 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.055 0.455 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.35 100.81 2.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.212 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.86 101.33 0.04 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.36 101.07 0.41 Allowed Glycine 0 CA--C 1.518 0.243 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -91.35 -70.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.343 . . . . 0.0 110.145 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -59.03 1.22 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.44 136.2 16.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.38 101.46 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.391 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.07 125.73 32.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 93.2 p -148.09 176.1 10.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.011 0.434 . . . . 0.0 111.334 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.43 125.35 12.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.113 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.84 175.47 13.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.958 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.03 177.54 3.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.744 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 95.8 p -162.31 165.48 26.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.455 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -81.29 -72.86 0.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.514 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.29 72.48 0.04 OUTLIER Glycine 0 CA--C 1.525 0.673 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.576 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.31 167.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 110.435 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.54 145.3 51.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.8 m -121.23 125.29 46.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.325 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 10.0 t 57.18 -163.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.551 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.612 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.781 0.324 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -130.24 147.6 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.748 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.3 134.82 42.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.276 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.73 144.23 32.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.743 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.26 -53.04 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.037 0.446 . . . . 0.0 110.699 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 54.3 p -133.0 -166.42 1.76 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.438 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.68 -39.56 3.1 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.467 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.37 -167.12 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.93 -47.42 31.98 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.75 -81.63 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 124.014 0.479 . . . . 0.0 109.903 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 67.0 m -101.56 127.43 48.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.316 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.96 131.66 52.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.608 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -92.74 -174.34 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.54 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.54 154.78 48.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.731 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -162.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.888 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.21 24.29 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.518 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.06 135.62 2.37 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.4 40.72 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.693 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.74 139.53 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.9 86.07 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.509 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.74 131.5 44.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 81.0 m -121.02 127.92 52.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.774 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -161.8 0.31 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.62 -58.02 10.25 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.14 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.81 -90.92 0.54 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 19.8 p -115.91 111.04 19.84 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.82 160.69 10.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.53 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 60.8 m -118.29 122.36 42.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.384 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.95 173.59 6.71 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.926 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . 0.421 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 83.0 Cg_exo -43.61 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.733 2.289 . . . . 0.0 113.389 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -144.99 110.49 5.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.049 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.87 -81.91 0.34 Allowed Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.8 92.56 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.91 -90.76 0.01 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.44 140.37 27.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.963 0.411 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.23 100.8 2.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.299 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.93 101.35 0.04 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.4 101.22 0.42 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -91.49 -70.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.781 0.325 . . . . 0.0 110.154 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.59 -59.12 1.22 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -152.43 136.38 16.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 0.0 110.751 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.56 101.55 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.311 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -132.08 125.58 31.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.995 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -147.99 176.07 10.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 111.348 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 44.5 t -147.48 125.33 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.046 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.85 175.46 13.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.992 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -171.04 177.53 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.793 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 95.7 p -162.23 165.5 26.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.498 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -81.22 -72.93 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.538 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.28 72.54 0.04 OUTLIER Glycine 0 CA--C 1.528 0.85 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.559 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.19 167.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.674 0.274 . . . . 0.0 110.539 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.53 145.28 51.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -121.16 125.22 46.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 10.0 t 57.1 -163.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.521 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 67.2 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.613 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.731 0.301 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 58.8 m -130.25 147.51 51.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.724 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 81.7 p -134.2 134.73 42.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.338 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.65 144.12 32.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.732 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.1 -53.25 2.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.055 0.455 . . . . 0.0 110.691 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 54.4 p -132.91 -166.38 1.75 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.429 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.61 -39.46 3.11 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.444 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.35 -167.17 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.86 -47.46 32.24 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.78 -81.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.964 0.45 . . . . 0.0 109.939 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 67.1 m -101.51 127.34 48.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.358 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.91 131.76 52.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.603 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.88 -174.48 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.433 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.44 154.82 48.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.754 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -162.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.84 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.2 24.25 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.04 135.65 2.37 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.32 40.72 31.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.786 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 47.7 t -72.81 139.65 47.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.526 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.93 85.98 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.485 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.7 131.52 44.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 79.9 m -121.07 127.94 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.748 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.16 -161.86 0.32 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.4 -58.12 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.518 0.199 . . . . 0.0 111.193 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.84 -90.91 0.54 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 19.8 p -115.89 111.08 19.92 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.83 160.75 10.57 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.446 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 61.0 m -118.33 122.31 42.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.376 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.87 173.58 6.73 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.945 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . 0.42 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 84.6 Cg_exo -43.72 168.76 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.719 2.279 . . . . 0.0 113.338 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -144.95 110.46 5.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.18 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.89 -82.09 0.34 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.59 92.59 3.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.828 0.347 . . . . 0.0 110.346 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.77 -90.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.4 140.41 27.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.985 0.421 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.31 100.76 2.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.278 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.78 101.28 0.04 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.136 -1.185 . . . . 0.0 110.136 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.33 101.27 0.42 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -91.59 -70.45 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -58.92 1.23 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -152.51 136.29 16.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.754 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.43 101.59 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.313 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -132.11 125.57 31.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.94 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -147.98 176.03 10.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.019 0.438 . . . . 0.0 111.353 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 44.3 t -147.37 125.43 12.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.043 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.88 175.51 13.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.954 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.11 177.52 3.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.765 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 96.1 p -162.27 165.42 26.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.495 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -81.09 -72.95 0.4 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.536 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.29 72.42 0.04 OUTLIER Glycine 0 CA--C 1.526 0.74 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.579 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.17 167.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 110.512 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.44 145.36 51.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.22 125.29 46.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.302 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 57.12 -163.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.555 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 67.0 t80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.56 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.739 0.304 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 57.5 m -130.23 147.35 51.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.815 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 81.3 p -134.15 134.58 42.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.385 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -142.84 142.89 31.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.894 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.12 -53.3 2.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.844 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 54.4 p -132.7 -166.2 1.71 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.533 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.68 -39.43 3.11 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 169.97 -167.69 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.29 -47.61 35.4 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.92 -81.56 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.962 0.448 . . . . 0.0 109.947 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -101.68 127.47 48.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 110.189 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -126.04 131.66 52.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -92.9 -174.53 3.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.474 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 63.5 m -138.26 154.93 49.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.788 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.864 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -124.2 24.39 8.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.05 135.69 2.38 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 53.26 40.74 31.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.725 0.298 . . . . 0.0 110.783 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.75 139.62 47.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.92 86.07 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.526 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.79 131.55 44.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.484 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 77.9 m -120.96 128.09 52.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.719 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.34 -161.8 0.35 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.51 -58.08 10.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.254 -0.179 . . . . 0.0 111.067 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.81 -91.04 0.54 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -115.9 110.99 19.78 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.89 160.74 10.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 60.5 m -117.97 122.94 44.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.319 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.13 173.29 7.05 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.807 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . 0.405 ' O ' ' HA ' ' H' ' 72' ' ' PRO . 87.8 Cg_exo -43.95 169.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.7 2.267 . . . . 0.0 113.163 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -145.05 110.87 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.231 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.01 -81.83 0.34 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.5 92.68 3.99 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.87 -90.51 0.01 OUTLIER Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.5 140.34 27.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.402 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.15 100.95 2.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.281 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.28 101.65 0.05 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.29 101.1 0.4 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -91.84 -70.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.221 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.69 -58.85 1.23 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -152.5 136.34 16.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.844 0.354 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.52 101.48 2.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.379 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -132.03 125.5 31.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.781 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 92.1 p -148.07 175.61 10.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.983 0.421 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.02 125.39 12.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.092 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.01 174.91 14.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.966 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -170.46 177.55 4.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 96.1 p -162.21 165.2 27.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -81.11 -72.56 0.42 Allowed 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.521 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 168.68 72.17 0.03 OUTLIER Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.351 -0.928 . . . . 0.0 111.429 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.23 167.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.746 0.308 . . . . 0.0 110.522 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.41 145.31 51.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.8 m -121.3 125.23 46.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.209 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 10.0 t 57.15 -163.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 67.0 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.578 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.745 0.307 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.1 p -71.19 160.92 31.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -141.08 153.88 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.667 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -150.59 163.34 38.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.315 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.17 -53.39 1.83 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.594 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 m -133.8 135.38 43.79 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.003 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.51 76.02 1.03 Allowed Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.319 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 32.35 68.48 0.13 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.907 0.416 . . . . 0.0 112.084 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.76 94.95 0.31 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 66.77 96.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 0.0 110.12 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.88 147.82 15.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.337 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.81 135.19 55.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.787 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -128.79 131.27 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.444 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.96 -42.08 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.286 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.5 t -153.14 96.79 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.228 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -90.23 77.2 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.679 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.67 -165.28 50.43 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.29 -35.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.678 0.275 . . . . 0.0 110.614 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -132.09 148.44 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.75 56.32 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.407 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -101.36 129.01 47.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.8 m -132.51 136.78 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.05 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.1 -160.45 1.64 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.85 -55.77 7.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.36 . . . . 0.0 111.099 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.85 -92.06 0.97 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.1 p -115.69 130.42 56.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.121 0.486 . . . . 0.0 110.507 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -161.63 129.96 4.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.629 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.1 p -109.93 141.59 42.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.672 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.43 ' C ' ' OG1' ' B' ' 71' ' ' THR . 61.7 p -92.59 161.92 30.86 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.56 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -88.54 108.16 0.52 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.889 2.393 . . . . 0.0 113.428 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -58.81 159.02 7.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.635 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.41 -97.6 1.49 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.8 42.73 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.213 0.53 . . . . 0.0 110.606 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.17 136.1 51.27 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.81 89.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.842 0.353 . . . . 0.0 110.189 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.4 m -101.24 104.56 15.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.11 0.481 . . . . 0.0 110.493 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.42 -144.96 12.32 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.09 71.83 0.52 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -53.61 134.09 41.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.535 0.207 . . . . 0.0 110.953 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.89 -47.35 0.57 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 172.48 131.37 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.949 0.404 . . . . 0.0 110.809 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.3 m -134.75 91.83 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.61 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -54.54 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.591 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 p -163.74 -177.14 4.99 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.134 -0.626 . . . . 0.0 112.021 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -164.45 148.4 9.41 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.773 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.65 130.43 52.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.745 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.09 161.55 8.61 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.936 0.398 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.9 p -162.81 -174.44 3.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 58.09 72.47 0.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.742 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.64 52.56 0.57 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.48 170.82 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.597 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.52 158.81 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.37 178.59 7.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.451 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.0 t -138.76 140.52 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.592 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.562 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 82.2 p -71.25 160.95 31.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.008 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.16 153.54 45.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.673 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.18 163.23 38.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.466 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.41 -53.29 1.81 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.574 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 70.8 m -133.59 135.72 44.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.959 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 104.88 78.4 1.22 Allowed Glycine 0 C--O 1.222 -0.616 0 C-N-CA 120.321 -0.942 . . . . 0.0 111.965 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' B' ' 49' ' ' GLY . 66.3 m-85 29.96 68.9 0.09 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.0 95.02 0.33 Allowed Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.91 96.37 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.884 0.374 . . . . 0.0 110.09 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.81 147.73 15.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.328 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -120.75 135.25 55.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.88 131.28 47.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.408 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.99 -42.07 5.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.94 0.4 . . . . 0.0 110.265 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.1 96.7 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.31 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -90.15 77.21 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.766 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.72 -165.13 50.72 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.42 -35.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 110.523 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 43.5 t -131.87 148.51 52.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.543 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.62 56.34 5.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.48 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.45 128.88 47.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.559 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 50.9 m -132.3 136.93 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.2 -160.31 1.66 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -55.73 7.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.697 0.284 . . . . 0.0 111.022 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.03 -92.41 0.99 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -115.43 130.87 57.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.37 . . . . 0.0 110.496 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.84 129.9 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.568 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 23.7 p -109.89 141.54 42.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.534 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' THR . . . . . 0.446 ' C ' ' OG1' ' C' ' 71' ' ' THR . 53.1 p -93.0 162.81 27.59 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.467 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -89.01 106.75 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 123.22 2.613 . . . . 0.0 113.892 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.43 158.89 5.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.792 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.65 -97.55 1.47 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.21 41.35 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.401 . . . . 0.0 110.658 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.96 136.28 51.0 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.75 89.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 110.218 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 66.1 m -101.06 104.37 15.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.3 -144.03 11.81 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.8 71.85 0.51 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -53.66 134.36 41.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.813 0.339 . . . . 0.0 110.938 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.81 -47.18 0.58 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.47 131.38 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 73.0 m -134.73 91.84 2.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.632 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.41 -87.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 72.6 p -163.4 -176.12 4.58 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.885 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.46 148.22 7.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.49 130.55 52.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.795 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.21 161.59 8.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.873 0.368 . . . . 0.0 111.179 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 87.8 p -162.95 -174.64 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.736 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 57.77 72.37 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.055 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.85 52.2 0.58 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.35 171.12 9.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.632 0.254 . . . . 0.0 110.503 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.76 158.74 9.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.46 178.46 7.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.488 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -138.55 140.58 39.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.711 0.291 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.17 160.89 32.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.991 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -141.08 153.59 45.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.658 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.13 163.13 39.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.36 -53.29 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.627 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 71.7 m -133.69 135.76 44.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.935 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 104.84 78.51 1.23 Allowed Glycine 0 C--O 1.222 -0.644 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.922 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' C' ' 49' ' ' GLY . 66.1 m-85 29.79 69.06 0.09 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.01 94.98 0.33 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.84 96.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.921 0.391 . . . . 0.0 110.064 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -160.93 147.68 15.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.315 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -120.78 135.24 55.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.743 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -128.89 131.26 47.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.359 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -103.0 -42.04 5.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.25 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -153.08 96.65 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.288 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.13 77.21 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.767 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.79 -165.02 50.97 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -142.52 -35.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.596 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -131.96 148.56 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.513 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 56.61 56.4 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.459 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -101.46 129.02 47.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.497 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 51.2 m -132.44 136.93 47.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.26 -160.37 1.7 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.99 -55.82 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.637 0.256 . . . . 0.0 110.935 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.01 -92.32 0.98 Allowed Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.45 130.93 57.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.888 0.375 . . . . 0.0 110.468 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.83 4.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.555 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 23.9 p -109.88 141.62 42.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.577 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' THR . . . . . 0.447 ' C ' ' OG1' ' D' ' 71' ' ' THR . 50.2 p -93.16 163.05 26.59 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.376 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -89.14 106.62 0.42 Allowed 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 123.187 2.591 . . . . 0.0 114.003 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.27 158.97 4.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.76 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.63 -97.45 1.45 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.32 41.12 3.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 110.626 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.65 136.27 50.9 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.69 89.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.93 0.395 . . . . 0.0 110.191 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 66.9 m -101.23 104.58 15.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.44 -144.12 11.78 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.9 71.83 0.51 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -53.71 134.49 41.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.72 -47.14 0.58 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.49 131.44 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.894 0.378 . . . . 0.0 110.824 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -134.77 91.84 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.576 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -54.43 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.587 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 71.8 p -163.25 -175.9 4.52 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.97 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.63 148.27 7.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.57 130.51 52.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.787 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.17 161.58 8.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 87.5 p -162.96 -174.7 4.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.654 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 57.8 72.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.185 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.81 52.21 0.58 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.31 171.22 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.662 0.268 . . . . 0.0 110.531 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.88 158.7 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.41 178.45 7.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.542 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 48.0 t -138.6 140.59 39.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.489 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.601 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.829 0.347 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 82.5 p -71.23 160.97 31.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -141.15 153.56 45.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.701 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -150.14 163.19 38.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.41 -53.46 1.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.527 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 71.0 m -133.45 135.76 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.055 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 104.81 78.59 1.24 Allowed Glycine 0 C--O 1.221 -0.676 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.918 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' D' ' 49' ' ' GLY . 65.7 m-85 29.83 68.99 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.16 95.08 0.34 Allowed Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 66.87 96.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.828 0.347 . . . . 0.0 110.101 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 33.4 t -160.88 147.69 15.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.303 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 39.7 t -120.72 135.27 55.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.778 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.87 131.24 47.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.374 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.99 -42.01 5.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.325 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.07 96.66 2.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.339 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.13 77.1 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.722 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.82 -164.95 51.1 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.53 -35.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.613 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 43.6 t -131.86 148.48 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.633 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.73 56.3 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.383 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.45 128.96 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.511 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 49.6 m -132.64 136.77 46.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.02 -160.37 1.58 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.08 -55.47 8.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.665 0.269 . . . . 0.0 110.981 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.73 -92.26 0.99 Allowed Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -115.43 130.7 56.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.771 0.32 . . . . 0.0 110.58 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.75 129.9 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 24.0 p -109.95 141.64 42.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.517 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 71' ' ' THR . . . . . 0.447 ' OG1' ' C ' ' C' ' 71' ' ' THR . 50.1 p -93.11 163.01 26.82 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -89.1 106.68 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 123.211 2.607 . . . . 0.0 114.04 -176.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.31 158.99 4.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.65 -97.47 1.45 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.28 41.04 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.714 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.62 136.36 50.81 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.77 89.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 0.0 110.109 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 63.9 m -100.9 104.41 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.43 -144.34 11.93 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.98 71.89 0.51 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -53.78 134.52 42.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.67 -47.07 0.58 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.45 131.44 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 72.8 m -134.75 91.88 2.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.623 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -54.51 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.603 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 69.6 p -163.21 -176.06 4.62 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.992 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.59 148.17 7.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.608 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.52 130.5 52.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.772 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.18 161.55 8.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.04 0.447 . . . . 0.0 111.078 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 88.0 p -162.94 -174.5 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.655 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 57.47 72.75 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.16 52.31 0.57 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.42 171.2 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.502 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.79 158.76 9.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.84 0.353 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.4 178.43 7.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.5 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.54 140.57 39.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.629 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.79 0.329 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 82.3 p -71.24 160.61 32.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -141.03 153.66 45.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.634 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -149.94 163.09 39.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.625 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.2 -50.55 1.79 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 119.311 -0.956 . . . . 0.0 112.643 178.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 66.8 m -131.06 134.05 46.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 119.257 -0.401 . . . . 0.0 112.025 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 107.93 72.14 0.76 Allowed Glycine 0 C--O 1.216 -1.019 0 C-N-CA 117.921 -2.085 . . . . 0.0 113.209 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' E' ' 49' ' ' GLY . 70.5 m-85 29.0 74.77 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.406 0.622 . . . . 0.0 110.64 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.35 92.79 0.42 Allowed Glycine 0 C--N 1.323 -0.145 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 67.88 96.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.04 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 33.4 t -160.83 147.81 15.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.66 135.47 55.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.606 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -128.92 131.41 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.531 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 3.2 m -103.0 -42.08 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.392 . . . . 0.0 110.223 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 46.5 t -153.14 96.74 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.255 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -90.22 77.11 6.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.762 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.79 -165.1 50.89 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.39 -35.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.598 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 43.3 t -131.9 148.55 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.31 56.88 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.426 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.81 129.2 47.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 49.9 m -132.58 136.77 46.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.43 -161.97 1.64 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -56.36 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.62 0.247 . . . . 0.0 110.967 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.35 -92.25 0.96 Allowed Glycine 0 N--CA 1.464 0.565 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -115.48 130.63 56.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.786 0.327 . . . . 0.0 110.476 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.64 130.44 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.439 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 22.2 p -110.27 141.85 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.034 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 71' ' ' THR . . . . . 0.447 ' OG1' ' C ' ' D' ' 71' ' ' THR . 56.2 p -92.54 163.14 27.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 O-C-N 125.529 1.768 . . . . 0.0 110.874 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -89.73 108.53 0.41 Allowed 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.516 2.144 . . . . 0.0 113.669 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -58.17 158.8 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.712 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.23 -96.02 1.3 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.77 41.31 3.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.807 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.86 136.41 50.85 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.39 90.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.948 0.404 . . . . 0.0 110.267 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 70.1 m -101.7 104.75 15.58 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.425 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.53 -144.23 11.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.36 72.82 0.37 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -54.56 134.42 46.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.966 0.412 . . . . 0.0 110.779 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.75 -44.54 0.65 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 169.76 131.63 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.077 0.465 . . . . 0.0 110.643 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -134.81 91.61 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.535 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -54.65 -86.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.628 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 70.0 p -163.24 -176.47 4.82 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 121.803 0.811 . . . . 0.0 112.077 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.06 148.66 8.53 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.684 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.55 130.17 51.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.07 161.05 8.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.934 0.397 . . . . 0.0 111.263 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 87.1 p -162.6 -174.45 3.99 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.8 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 57.47 72.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.472 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.2 52.86 0.56 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.71 170.95 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.606 0.241 . . . . 0.0 110.433 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.56 158.54 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 85.0 p -163.94 179.11 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.596 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.77 140.72 38.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.594 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.801 0.334 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 82.5 p -71.29 161.02 31.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.946 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 13.7 t -141.27 153.49 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -150.07 163.1 39.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.26 -53.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.576 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 71.5 m -133.54 135.84 44.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.99 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 104.71 78.93 1.27 Allowed Glycine 0 C--O 1.221 -0.675 0 C-N-CA 120.323 -0.941 . . . . 0.0 111.926 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' F' ' 49' ' ' GLY . 64.6 m-85 29.43 69.13 0.08 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.16 94.96 0.33 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.91 96.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 110.055 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.94 147.77 15.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.253 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 39.6 t -120.8 135.11 55.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.795 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.79 131.22 47.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.425 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.94 -42.05 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.287 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.17 96.83 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.262 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.3 77.2 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.7 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.75 -165.04 50.87 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.45 -35.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.601 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.85 148.54 52.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.66 56.33 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -101.41 129.0 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 51.1 m -132.39 137.12 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.37 -160.26 1.73 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -55.92 7.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 0.0 110.966 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.14 -92.38 0.98 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.4 131.05 57.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.903 0.382 . . . . 0.0 110.366 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.99 129.8 4.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 24.0 p -109.9 141.56 42.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.515 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 71' ' ' THR . . . . . 0.447 ' OG1' ' C ' ' E' ' 71' ' ' THR . 50.0 p -93.18 163.08 26.43 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.403 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -89.2 106.6 0.42 Allowed 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 123.121 2.547 . . . . 0.0 113.999 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.23 159.05 4.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.759 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.48 -97.65 1.49 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.72 40.83 3.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.704 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.61 136.28 50.88 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.65 89.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.191 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 68.8 m -101.11 104.47 15.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.32 -144.13 11.86 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 71.84 0.51 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.71 134.49 41.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.72 -47.03 0.58 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.33 131.37 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.853 0.359 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.75 91.91 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.602 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.53 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.582 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 70.9 p -163.25 -176.05 4.59 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.01 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -165.55 148.24 7.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.528 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.47 130.47 52.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.2 161.55 8.42 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 87.4 p -162.91 -174.63 3.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.702 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 57.91 71.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.334 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.58 52.31 0.58 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.38 171.13 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.64 0.257 . . . . 0.0 110.437 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.79 158.72 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 84.6 p -164.45 178.47 7.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.56 140.6 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.499 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.57 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.798 0.332 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.27 160.95 31.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.009 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.09 153.52 45.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.613 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -150.12 163.17 38.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.578 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.36 -53.46 1.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.615 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 71.5 m -133.55 135.87 44.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.918 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 104.73 78.59 1.24 Allowed Glycine 0 C--O 1.221 -0.665 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.958 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' G' ' 49' ' ' GLY . 65.1 m-85 29.78 69.05 0.09 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.1 95.08 0.34 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 66.86 96.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.073 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.89 147.76 15.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.286 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -120.8 135.08 55.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.758 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.71 131.34 47.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.445 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -103.0 -42.05 5.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.303 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -153.15 96.81 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.265 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -90.17 77.17 6.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.69 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.73 -165.06 50.82 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.41 -35.55 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 110.587 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.88 148.5 52.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.589 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.7 56.33 5.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.404 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.4 128.96 47.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.599 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 50.6 m -132.45 136.91 47.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.15 -160.31 1.63 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.09 -55.78 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.974 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.06 -92.4 0.99 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.36 130.82 57.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.867 0.365 . . . . 0.0 110.407 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.86 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.633 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 23.8 p -109.85 141.64 42.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.552 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 71' ' ' THR . . . . . 0.444 ' OG1' ' C ' ' F' ' 71' ' ' THR . 51.1 p -93.16 163.08 26.44 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -89.12 106.46 0.42 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 123.192 2.594 . . . . 0.0 113.982 -176.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.09 159.02 4.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.56 -97.48 1.46 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.27 41.0 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.994 0.426 . . . . 0.0 110.698 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.63 136.32 50.85 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.74 89.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.974 0.416 . . . . 0.0 110.26 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 68.1 m -101.03 104.35 15.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.634 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.2 -144.19 11.96 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.92 71.76 0.52 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.62 134.51 41.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.904 0.383 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.7 -47.21 0.58 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.46 131.37 0.02 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 72.5 m -134.71 91.82 2.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.714 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.5 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 72.6 p -163.28 -175.96 4.54 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.92 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.64 148.17 7.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.567 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.48 130.6 52.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.24 161.57 8.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.931 0.396 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 87.3 p -162.94 -174.68 4.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.649 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 57.8 72.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.8 52.21 0.58 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.37 171.21 9.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.657 0.265 . . . . 0.0 110.477 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.83 158.73 9.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 111.054 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 84.5 p -164.44 178.49 7.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.498 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -138.59 140.62 39.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.446 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.61 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.795 0.331 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 82.1 p -71.25 160.94 31.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.057 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.13 153.52 45.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.05 163.18 38.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.564 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.34 -53.49 1.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.586 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 71.2 m -133.44 135.76 44.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.971 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 104.87 78.62 1.24 Allowed Glycine 0 C--O 1.223 -0.571 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.933 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' H' ' 49' ' ' GLY . 65.7 m-85 29.79 68.91 0.09 Allowed 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.01 95.08 0.33 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.336 -1.105 . . . . 0.0 110.336 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 66.87 96.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 0.0 110.143 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 33.6 t -160.86 147.82 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.263 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -120.85 135.2 55.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.765 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.74 131.25 47.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.486 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 3.2 m -102.92 -42.02 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -153.24 96.75 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.282 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.19 77.06 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.729 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.76 -165.1 50.83 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.42 -35.51 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 110.562 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -131.94 148.49 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.537 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.71 56.25 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.474 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.39 128.93 47.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.628 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 50.3 m -132.4 137.03 47.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.25 -160.26 1.67 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.12 -55.76 7.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.655 0.264 . . . . 0.0 111.0 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.02 -92.41 0.99 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -115.37 130.95 57.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.804 0.335 . . . . 0.0 110.415 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.87 4.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.569 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 24.1 p -110.02 141.51 42.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.486 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 71' ' ' THR . . . . . 0.442 ' OG1' ' C ' ' G' ' 71' ' ' THR . 49.8 p -93.12 163.08 26.53 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -88.98 106.45 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 123.205 2.603 . . . . 0.0 114.073 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.12 159.07 4.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.792 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.6 -97.57 1.47 Allowed Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.96 40.71 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.733 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.43 136.27 50.82 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.82 89.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.912 0.387 . . . . 0.0 110.107 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 68.1 m -101.01 104.45 15.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.604 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.29 -144.16 11.89 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.96 71.96 0.5 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.86 134.5 42.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.964 0.411 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.77 -47.14 0.58 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 172.44 131.46 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.74 91.89 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.587 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -54.56 -87.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.559 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 72.8 p -163.22 -175.9 4.53 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.907 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.71 148.18 7.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.39 130.53 52.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.31 161.56 8.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.9 0.381 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 87.4 p -162.9 -174.66 4.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.712 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 57.77 72.21 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.182 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.85 52.08 0.58 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.27 171.24 9.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.681 0.277 . . . . 0.0 110.479 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.8 158.81 9.23 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.019 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.51 178.43 7.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 47.8 t -138.55 140.66 39.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.456 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.569 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.772 0.32 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.17 161.11 31.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -141.41 153.28 44.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.696 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -150.27 162.27 40.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.596 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.76 -54.03 1.86 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.536 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 72.2 m -132.84 135.89 45.91 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.033 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 104.99 78.55 1.23 Allowed Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.851 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' I' ' 49' ' ' GLY . 64.8 m-85 29.77 70.31 0.07 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.12 95.15 0.41 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.81 95.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.39 . . . . 0.0 110.137 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.15 148.0 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.357 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.83 135.14 55.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.763 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -128.78 131.27 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.478 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 3.3 m -102.98 -42.02 5.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -153.24 96.83 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.276 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.22 77.15 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.659 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.63 -165.08 50.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.36 -35.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.637 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.84 148.51 52.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 56.59 56.38 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.505 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.46 129.0 47.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.565 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 49.5 m -132.39 137.07 47.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.44 -160.15 1.74 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.26 -55.66 8.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.516 0.198 . . . . 0.0 110.942 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.04 -92.46 0.99 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 30.8 p -115.21 131.14 57.02 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.402 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -162.01 129.94 4.07 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.446 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 26.1 p -110.21 140.97 43.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.449 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 71' ' ' THR . . . . . 0.43 ' OG1' ' C ' ' H' ' 71' ' ' THR . 46.6 p -91.82 164.77 22.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -89.98 107.02 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 123.158 2.572 . . . . 0.0 113.989 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -57.6 158.85 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.827 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.26 -97.35 1.39 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.66 39.29 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.72 0.295 . . . . 0.0 110.745 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.15 136.51 48.36 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.66 89.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 110.167 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 67.3 m -100.84 104.35 15.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.739 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.24 -143.91 11.77 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.89 72.01 0.49 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -53.9 134.95 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.043 0.449 . . . . 0.0 110.739 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.59 -46.91 0.59 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.37 131.46 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.77 91.99 2.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.544 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -54.33 -86.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.645 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 76.1 p -163.46 -175.97 4.48 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.213 -0.595 . . . . 0.0 111.532 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.69 148.44 7.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.58 130.69 52.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.733 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.39 161.46 8.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.923 0.392 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 87.4 p -162.9 -174.65 4.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.567 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 57.49 71.85 0.55 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.332 0.587 . . . . 0.0 111.455 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.77 51.71 0.59 Allowed Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.36 171.25 9.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.627 0.251 . . . . 0.0 110.412 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.75 158.84 9.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.05 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 85.0 p -164.45 178.41 7.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.483 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 47.5 t -138.62 140.65 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.425 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.551 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.906 0.384 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.9 m -129.33 146.0 51.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -122.47 126.59 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.638 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -140.65 142.86 34.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.093 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.22 -51.38 1.76 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.544 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.6 t -136.42 140.95 43.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.148 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.87 74.55 1.22 Allowed Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.519 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 37.02 70.42 0.17 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.29 95.12 0.5 Allowed Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 67.48 88.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.42 147.53 15.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.649 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.36 146.07 51.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.415 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.81 40.5 20.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.46 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.28 -37.53 77.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.631 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -132.04 144.76 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.31 54.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.28 149.3 42.12 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -109.57 17.01 21.8 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.054 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -61.13 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.746 0.308 . . . . 0.0 110.577 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.84 126.91 53.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -133.39 105.19 6.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.4 m -114.08 130.73 56.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.636 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.04 -161.22 0.9 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.34 -58.77 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.834 0.35 . . . . 0.0 110.826 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.4 -99.57 1.25 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.64 121.38 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.026 0.441 . . . . 0.0 110.772 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.48 133.99 1.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.791 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.0 t -105.68 124.94 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.62 170.08 17.98 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.065 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.22 105.58 0.14 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.253 1.969 . . . . 0.0 112.533 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -63.59 111.84 2.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.05 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.46 121.05 0.34 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.1 t80 58.64 83.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.143 0.497 . . . . 0.0 111.092 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.99 -89.96 0.08 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -141.53 161.09 38.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 111.196 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.19 104.88 3.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.34 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.61 84.83 0.38 Allowed Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.28 -128.5 2.39 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -89.72 51.6 2.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.77 0.319 . . . . 0.0 110.732 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.99 -132.25 48.96 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m 41.02 51.05 3.25 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.153 0.502 . . . . 0.0 110.445 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 p -111.65 83.39 1.77 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.841 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.11 124.06 26.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.675 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.65 -175.01 4.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.942 0.401 . . . . 0.0 111.027 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -154.19 140.42 18.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.314 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.27 -173.48 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.929 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.3 p -151.33 161.28 42.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.33 113.93 15.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.678 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -129.16 100.43 5.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.049 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.79 53.25 0.56 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.682 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.65 114.47 26.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.612 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.92 133.59 22.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.81 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -125.06 127.3 46.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.481 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.19 -165.73 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.688 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.491 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.916 0.389 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.29 145.96 51.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.513 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -122.59 126.28 47.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.695 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.27 142.5 35.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.253 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.39 -51.4 1.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.423 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -136.17 141.48 44.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.14 76.35 1.32 Allowed Glycine 0 C--O 1.223 -0.544 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.181 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.24 70.99 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.79 95.17 0.54 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 67.6 88.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.45 147.48 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.71 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.35 146.06 51.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 49.73 40.54 20.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.522 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.32 -37.46 77.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.608 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.0 m -132.09 144.85 51.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.48 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -146.41 54.31 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.25 149.21 42.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -109.59 17.18 21.61 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.798 0.332 . . . . 0.0 110.574 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.8 126.95 53.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.38 105.15 6.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -113.95 130.9 56.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.13 -161.1 0.9 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.57 -58.72 3.54 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.756 0.312 . . . . 0.0 110.819 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.55 -99.75 1.26 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.4 121.41 44.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.775 0.321 . . . . 0.0 110.765 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.54 133.15 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.826 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.77 124.98 50.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.711 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.64 169.9 18.82 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.044 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 52.3 Cg_exo -54.23 103.67 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.432 2.088 . . . . 0.0 112.809 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.48 112.24 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.296 0.373 . . . . 0.0 110.455 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.4 121.06 0.33 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.84 83.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.411 . . . . 0.0 110.969 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.97 -89.89 0.08 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 55.2 m -141.28 161.32 38.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 111.19 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.26 104.16 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.524 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.06 85.01 0.38 Allowed Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.46 -128.52 2.38 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -89.86 52.31 2.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.921 0.391 . . . . 0.0 110.644 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.35 -132.22 50.08 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.87 51.24 3.15 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.303 0.573 . . . . 0.0 110.555 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.58 83.42 1.78 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.751 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.19 123.36 25.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.773 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.9 -175.0 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -154.09 140.44 18.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.375 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.23 -173.44 0.92 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.057 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 94.9 p -151.4 161.29 42.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.751 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.96 15.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.694 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -129.5 100.64 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.04 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.62 53.61 0.55 Allowed Glycine 0 CA--C 1.526 0.75 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.681 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.76 114.43 26.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.56 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.94 133.57 22.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 70.2 m -124.99 127.3 46.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.543 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.19 -165.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.711 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 58.8 t80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.447 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.862 0.363 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.21 145.94 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -122.55 126.21 47.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.727 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.23 142.37 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.288 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.26 -51.35 1.76 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.542 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -136.27 141.48 43.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 111.123 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.06 76.53 1.33 Allowed Glycine 0 C--O 1.224 -0.515 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.262 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 34.98 71.09 0.12 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.86 95.15 0.54 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 67.64 88.42 0.11 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.849 0.357 . . . . 0.0 110.045 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.44 147.37 15.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.707 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.26 146.18 51.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.472 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.7 40.42 19.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 89.4 p -59.13 -37.57 77.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.628 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.9 m -132.04 144.88 51.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.453 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -146.34 54.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.655 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.17 149.23 42.19 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.48 17.08 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.59 -61.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.502 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.73 126.97 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.539 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.46 105.16 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 94.6 m -113.96 130.81 56.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.02 -161.17 0.89 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.51 -58.8 3.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.694 0.283 . . . . 0.0 110.73 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.58 -99.7 1.26 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.43 121.42 44.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.778 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -168.58 133.12 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.857 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.7 125.04 50.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.729 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.69 169.92 18.75 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.056 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . 0.406 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 52.1 Cg_exo -54.24 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.476 2.118 . . . . 0.0 112.78 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.31 112.16 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.818 0.342 . . . . 0.0 110.497 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.52 121.05 0.34 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.72 83.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.012 0.434 . . . . 0.0 110.897 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.02 -89.8 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 54.3 m -141.3 161.37 38.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.161 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.31 104.18 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.55 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.04 85.0 0.38 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.5 -128.5 2.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -89.86 52.44 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.397 . . . . 0.0 110.647 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.38 -132.35 50.07 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.88 51.3 3.17 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.268 0.556 . . . . 0.0 110.556 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.65 83.52 1.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.747 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.28 123.27 25.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.81 -174.87 4.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 110.991 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -154.17 140.38 18.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.45 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.809 -0.357 . . . . 0.0 111.09 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -151.35 161.28 42.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.702 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.88 15.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.667 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -129.43 100.81 5.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.092 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.47 53.64 0.56 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.628 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.73 114.47 26.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.78 0.324 . . . . 0.0 110.547 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.98 133.59 22.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.806 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 70.7 m -125.08 127.39 46.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.454 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.0 -165.7 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.721 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.53 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.824 0.345 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -129.36 146.05 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.0 m -122.67 126.12 46.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.811 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.18 142.51 35.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.204 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.4 -51.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.34 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -135.97 141.61 44.45 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.278 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.95 76.52 1.33 Allowed Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.327 -0.94 . . . . 0.0 112.237 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.03 71.09 0.12 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.83 95.14 0.54 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 67.57 88.42 0.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.827 0.346 . . . . 0.0 110.128 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 47.2 t -160.45 147.4 15.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.715 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 89.5 p -132.31 146.06 51.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.78 40.47 20.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.559 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.31 -37.38 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.656 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.4 m -132.11 144.71 50.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.524 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.25 54.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.16 149.23 42.21 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.55 17.06 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.54 -61.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.815 0.34 . . . . 0.0 110.539 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.78 126.91 53.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.4 105.18 6.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -113.98 130.78 56.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.12 -161.16 0.91 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -58.77 3.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.668 0.271 . . . . 0.0 110.704 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.46 -99.69 1.26 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.4 121.41 44.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.779 0.324 . . . . 0.0 110.784 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.54 133.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.864 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.72 125.08 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.751 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.81 169.9 18.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.075 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 52.4 Cg_exo -54.17 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.487 2.125 . . . . 0.0 112.817 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.29 112.28 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.306 0.379 . . . . 0.0 110.474 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.36 121.02 0.33 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.78 83.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.99 0.424 . . . . 0.0 110.974 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.02 -89.83 0.08 OUTLIER Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -141.34 161.42 37.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.899 0.38 . . . . 0.0 111.152 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.34 104.26 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.8 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.18 85.15 0.39 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.58 -128.51 2.36 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.99 52.58 2.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.928 0.394 . . . . 0.0 110.64 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.24 -132.25 50.28 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.84 51.3 3.14 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.292 0.568 . . . . 0.0 110.545 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.62 83.45 1.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.721 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.21 123.32 25.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.774 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.84 -175.03 4.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 111.027 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -153.95 140.4 18.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.377 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.47 0.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.019 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 94.8 p -151.33 161.29 42.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.745 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.82 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.687 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -129.55 100.79 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.049 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.52 53.69 0.56 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.635 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.71 114.43 26.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.74 0.305 . . . . 0.0 110.528 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.97 133.56 22.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.745 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -125.04 127.41 46.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.08 -165.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.448 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.879 0.371 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 75.3 m -129.2 145.96 51.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.561 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -122.56 126.35 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.694 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -139.92 142.62 36.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.18 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.02 -49.58 1.71 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 119.173 -1.011 . . . . 0.0 112.511 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -131.58 139.76 49.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.02 71.71 1.04 Allowed Glycine 0 C--O 1.217 -0.927 0 C-N-CA 118.084 -2.007 . . . . 0.0 112.885 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 33.45 76.01 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.455 0.645 . . . . 0.0 111.03 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.39 92.95 0.6 Allowed Glycine 0 CA--C 1.518 0.222 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 68.38 88.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.946 0.403 . . . . 0.0 110.004 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.48 147.42 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.729 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.26 146.19 51.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.42 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 49.77 40.5 20.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.447 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.32 -37.49 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.603 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -132.02 144.78 51.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.571 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -146.28 54.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.12 149.24 42.3 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.57 17.1 21.71 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.58 -61.18 0.09 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.763 0.316 . . . . 0.0 110.586 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.85 126.61 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.1 104.82 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.744 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -113.83 130.75 56.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.61 -162.15 0.9 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -59.06 3.05 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.664 0.269 . . . . 0.0 110.74 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.64 -99.26 1.2 Allowed Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.66 121.08 43.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.749 0.309 . . . . 0.0 110.684 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -168.21 134.41 1.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.319 0.581 . . . . 0.0 110.686 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -106.15 126.75 52.6 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.125 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.08 169.73 19.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 O-C-N 124.604 1.19 . . . . 0.0 109.778 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . 0.421 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 50.8 Cg_exo -55.57 107.9 0.28 Allowed 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.222 1.281 . . . . 0.0 111.778 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -64.19 114.09 3.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.912 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.85 119.95 0.26 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 4.0 t80 60.53 81.69 0.18 Allowed 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.328 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.4 -89.47 0.08 OUTLIER Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 56.5 m -141.45 161.28 38.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.079 0.466 . . . . 0.0 111.0 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.71 104.07 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.131 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.25 84.91 0.38 Allowed Glycine 0 CA--C 1.547 2.062 0 C-N-CA 120.379 -0.915 . . . . 0.0 111.726 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.53 -128.32 2.35 Favored Glycine 0 C--N 1.355 1.608 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -89.96 51.93 2.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.93 0.395 . . . . 0.0 111.27 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.3 -131.69 49.9 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 39.98 52.26 2.63 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 123.68 0.282 . . . . 0.0 110.464 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 3.7 p -112.42 83.14 1.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.117 0.885 . . . . 0.0 110.26 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.19 122.77 24.48 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-O 121.455 0.645 . . . . 0.0 110.811 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.1 -176.34 5.18 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.933 -0.48 . . . . 0.0 110.887 -178.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -153.36 140.37 19.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.32 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.37 0.91 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.003 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -150.89 161.77 42.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.61 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -129.2 113.65 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.867 0.73 . . . . 0.0 111.224 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -128.63 99.85 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.367 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.02 53.01 0.55 Allowed Glycine 0 CA--C 1.525 0.718 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.726 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.31 114.15 25.8 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.805 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.83 133.76 22.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.85 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -124.93 127.28 46.81 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.316 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.3 -165.73 0.17 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.049 0.843 . . . . 0.0 110.563 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.459 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.853 0.359 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.34 146.01 51.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -122.56 126.29 47.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.629 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -140.24 142.32 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.297 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.27 -51.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.439 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 26.8 t -136.02 141.6 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 111.189 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.88 76.85 1.34 Allowed Glycine 0 C--O 1.222 -0.599 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.123 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 34.66 71.25 0.11 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.87 95.11 0.54 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 67.61 88.31 0.11 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.848 0.356 . . . . 0.0 110.085 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.33 147.43 15.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.706 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.29 146.13 51.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 49.76 40.49 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.497 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.26 -37.51 77.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.638 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -132.01 144.76 51.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.521 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.3 54.25 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.614 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.05 149.19 42.34 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.48 17.0 21.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.575 0.226 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.737 0.303 . . . . 0.0 110.606 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -116.73 126.84 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.542 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.35 105.15 6.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -113.97 130.94 56.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.19 -161.12 0.93 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -58.83 3.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.735 0.303 . . . . 0.0 110.751 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.54 -99.72 1.26 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.38 121.56 45.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.705 0.288 . . . . 0.0 110.761 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.65 133.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.822 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.73 125.08 50.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.704 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.78 169.93 18.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.036 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 51.9 Cg_exo -54.17 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.51 2.14 . . . . 0.0 112.814 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.2 112.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.246 0.341 . . . . 0.0 110.526 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.46 121.3 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.85 83.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.89 0.08 OUTLIER Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 55.4 m -141.27 161.34 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 111.119 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.3 104.19 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.48 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.07 85.07 0.39 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.5 -128.58 2.38 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.87 52.44 2.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.923 0.392 . . . . 0.0 110.611 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 -132.27 50.13 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.86 51.32 3.15 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 121.239 0.542 . . . . 0.0 110.57 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 3.8 p -111.75 83.54 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.606 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.25 123.26 25.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.759 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.82 -174.94 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 111.094 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.8 t -154.03 140.31 18.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.345 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.17 -173.44 0.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 94.7 p -151.33 161.33 42.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.763 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.82 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.673 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.45 100.78 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.041 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.48 53.75 0.56 Allowed Glycine 0 CA--C 1.526 0.762 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.614 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.7 114.39 26.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.729 0.299 . . . . 0.0 110.564 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.98 133.53 22.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.795 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 70.4 m -124.98 127.42 47.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.04 -165.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.658 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.473 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.89 0.376 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.28 145.98 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.525 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -122.53 126.21 47.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.686 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -140.26 142.46 35.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.22 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.41 -51.29 1.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.471 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 26.5 t -136.22 141.52 43.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.99 76.51 1.33 Allowed Glycine 0 C--O 1.222 -0.612 0 C-N-CA 120.329 -0.939 . . . . 0.0 112.172 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 35.16 71.07 0.12 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.89 95.16 0.54 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 67.58 88.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 47.1 t -160.41 147.42 15.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.702 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.29 146.15 51.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.78 40.45 20.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.25 -37.49 77.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -132.02 144.78 51.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.564 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.32 54.22 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.519 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.15 149.2 42.2 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -109.49 17.03 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.18 0.09 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.791 0.329 . . . . 0.0 110.573 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.72 126.91 53.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.569 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.39 105.17 6.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -113.97 130.92 56.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.23 -161.05 0.92 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.55 -58.8 3.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.62 0.248 . . . . 0.0 110.784 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.54 -99.69 1.26 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.45 121.43 44.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.726 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.59 133.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.828 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -104.79 125.09 50.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.71 169.9 18.84 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.047 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 52.0 Cg_exo -54.15 103.39 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.547 2.165 . . . . 0.0 112.776 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.24 112.24 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.831 0.348 . . . . 0.0 110.547 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.56 121.0 0.35 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.73 83.72 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.391 . . . . 0.0 110.953 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.85 0.08 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 55.7 m -141.32 161.41 37.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.922 0.392 . . . . 0.0 111.093 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.32 104.09 3.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.508 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.08 85.17 0.39 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.54 -128.48 2.36 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.94 52.47 2.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 110.643 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 -132.27 50.13 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.81 51.37 3.12 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.282 0.563 . . . . 0.0 110.538 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 4.0 p -111.67 83.51 1.79 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.722 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.25 123.22 25.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.723 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.81 -174.94 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.07 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.2 t -154.06 140.32 18.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.324 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.1 -173.37 0.93 Allowed 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.043 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 95.4 p -151.37 161.32 42.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.7 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.25 113.93 15.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.67 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -129.49 100.79 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.45 53.67 0.56 Allowed Glycine 0 CA--C 1.526 0.777 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.677 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.71 114.43 26.41 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.597 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.97 133.56 22.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.747 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 70.5 m -125.02 127.41 46.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.461 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 5.5 t 58.13 -165.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 58.9 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.459 179.876 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.808 0.337 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -129.26 145.98 51.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -122.58 126.17 47.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.721 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -140.19 142.41 35.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.294 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.29 -51.4 1.76 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.483 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -136.24 141.45 43.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.231 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.2 76.46 1.32 Allowed Glycine 0 C--O 1.224 -0.513 0 C-N-CA 120.276 -0.964 . . . . 0.0 112.232 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.04 71.05 0.12 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.77 95.17 0.54 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 67.54 88.37 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.851 0.358 . . . . 0.0 110.096 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.37 147.37 15.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.693 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 89.7 p -132.29 146.15 51.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.444 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 49.75 40.54 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.489 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.41 -37.38 77.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.591 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -132.07 144.76 50.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.521 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.32 54.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.18 149.25 42.2 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.56 17.06 21.75 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.53 -61.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 0.0 110.575 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.88 126.85 53.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.37 105.25 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -114.07 130.9 56.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.15 -160.99 0.89 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.63 -58.77 3.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.659 0.266 . . . . 0.0 110.779 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.55 -99.72 1.26 Allowed Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.532 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.44 121.43 44.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.686 0.279 . . . . 0.0 110.818 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -168.56 133.26 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.76 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -104.84 125.14 50.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.693 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.74 169.84 19.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.066 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 52.3 Cg_exo -54.21 103.41 0.09 OUTLIER 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.518 2.145 . . . . 0.0 112.754 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.32 112.25 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.909 0.385 . . . . 0.0 110.497 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.59 121.16 0.35 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.75 83.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.83 0.08 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 56.8 m -141.29 161.39 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 111.087 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.29 104.03 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.47 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.94 85.16 0.39 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.52 -128.55 2.37 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -90.04 52.66 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.57 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.19 -132.31 50.39 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.91 51.34 3.18 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.27 0.557 . . . . 0.0 110.545 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.71 83.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.709 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.24 123.26 25.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.72 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.85 -175.04 4.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 111.067 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -153.91 140.41 18.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.407 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.52 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.065 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -151.27 161.27 43.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.796 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.11 113.88 15.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.684 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.54 100.7 5.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.099 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.57 53.71 0.55 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.672 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.66 114.26 26.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.698 0.285 . . . . 0.0 110.617 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.9 133.66 22.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.768 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 70.6 m -125.13 127.39 46.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.432 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.11 -165.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.688 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 59.5 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.522 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.849 0.357 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -129.17 145.94 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.601 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.6 m -122.79 126.01 46.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.061 0.458 . . . . 0.0 110.683 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -140.28 141.46 35.8 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.7 -51.98 1.81 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.424 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 27.3 t -135.51 141.86 45.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.232 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.99 76.47 1.33 Allowed Glycine 0 C--O 1.224 -0.505 0 C-N-CA 120.276 -0.964 . . . . 0.0 112.208 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 34.86 72.54 0.09 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.98 94.93 0.63 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 67.6 87.8 0.12 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.871 0.367 . . . . 0.0 110.162 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -159.78 147.54 16.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.731 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.39 146.18 51.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.447 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 49.68 40.66 20.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.39 -37.54 78.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.613 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 58.5 m -131.98 144.83 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.485 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -146.44 54.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.27 149.31 42.15 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -109.62 17.08 21.69 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.52 -61.21 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.832 0.349 . . . . 0.0 110.576 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.67 126.93 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.53 105.19 6.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.598 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -113.84 131.0 56.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.513 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.27 -160.95 0.92 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.74 -58.77 3.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.493 0.187 . . . . 0.0 110.675 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.6 -99.83 1.27 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.555 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.37 121.46 44.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.599 0.238 . . . . 0.0 110.646 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -168.62 133.02 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.659 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 29.6 t -104.45 125.8 50.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.603 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.41 169.92 18.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.827 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.32 103.39 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.631 2.221 . . . . 0.0 112.52 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.18 112.6 2.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.789 0.328 . . . . 0.0 110.575 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.43 121.15 0.34 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 59.0 83.73 0.12 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.618 0.247 . . . . 0.0 110.699 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.88 -89.62 0.08 OUTLIER Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 54.7 m -141.19 161.45 37.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.78 0.324 . . . . 0.0 111.071 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.27 103.39 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.648 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.42 85.44 0.4 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.78 -128.58 2.35 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -90.11 53.66 2.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.976 0.417 . . . . 0.0 110.468 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.05 -133.02 52.74 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 41.82 51.18 4.11 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.234 0.54 . . . . 0.0 110.517 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.8 83.53 1.8 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.654 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.11 123.07 25.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.688 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.79 -175.52 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 0.0 111.024 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -153.5 140.49 19.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.378 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.25 -173.62 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 95.7 p -151.12 161.32 42.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.07 113.8 15.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -129.79 100.94 5.67 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.091 0.472 . . . . 0.0 111.066 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.35 54.1 0.55 Allowed Glycine 0 CA--C 1.527 0.834 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.66 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.61 114.32 26.23 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.634 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -145.02 133.59 22.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.784 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 70.1 m -125.1 127.34 46.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.471 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.06 -165.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.685 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.531 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.719 0.295 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.95 159.11 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -127.21 130.27 49.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.681 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -127.4 149.54 50.03 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.323 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.22 -52.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -134.95 132.16 38.09 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.592 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.38 74.89 0.79 Allowed Glycine 0 CA--C 1.527 0.807 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.061 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 29.13 69.99 0.07 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.164 0.567 . . . . 0.0 112.368 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.82 93.96 0.23 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 67.07 94.72 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.7 t -160.72 149.46 16.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.82 138.36 53.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -129.46 143.73 50.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -149.66 137.92 20.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.487 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -156.18 160.83 40.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.648 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -132.42 148.65 52.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.46 -151.97 48.9 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.04 139.7 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.564 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.8 116.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.66 118.78 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.467 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.73 100.34 11.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.658 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.6 m -115.14 128.65 56.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.416 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.13 -166.64 1.07 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -54.83 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 111.116 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.42 -105.89 1.34 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.6 p -108.36 107.76 18.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.148 0.499 . . . . 0.0 110.136 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -148.1 135.58 20.63 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.695 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.2 m -110.68 136.25 50.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.117 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.407 ' C ' ' OG1' ' B' ' 71' ' ' THR . 33.4 p -73.8 166.0 48.2 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.465 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.402 ' N ' ' OG1' ' B' ' 71' ' ' THR . 44.8 Cg_endo -88.6 105.49 0.46 Allowed 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.523 2.149 . . . . 0.0 113.671 -176.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.29 120.04 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.243 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.98 -87.81 0.27 Allowed Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -129.22 86.94 2.49 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.493 0.663 . . . . 0.0 110.621 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.34 104.63 2.99 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.245 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.76 122.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 111.124 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 85.6 m -110.38 110.28 21.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.86 90.51 0.61 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.74 123.38 0.69 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -93.79 -40.98 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.4 -67.82 1.14 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -148.39 112.82 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.22 84.72 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.345 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.9 118.6 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.354 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.0 p -145.46 167.1 23.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 111.17 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.4 t -139.13 129.7 25.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.011 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.15 173.08 16.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.901 0.381 . . . . 0.0 111.177 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.1 p -166.68 157.85 12.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -164.05 175.35 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.73 75.15 0.05 Allowed 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.38 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.19 49.95 0.13 Allowed Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -97.65 114.28 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.625 0.25 . . . . 0.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.97 128.57 38.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.27 119.32 28.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.285 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 66.14 -165.63 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.425 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.815 0.341 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -70.97 159.21 35.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.4 m -127.33 130.18 49.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.686 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -127.11 149.2 50.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.49 -52.3 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.04 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.78 132.44 38.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.492 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 109.98 77.23 0.93 Allowed Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.714 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' B' ' 49' ' ' GLY . 69.5 m-85 26.24 70.77 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.06 94.01 0.24 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.19 94.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.83 0.348 . . . . 0.0 110.129 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 32.7 t -160.71 149.46 16.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.82 138.41 53.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -129.54 143.76 50.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.71 137.88 20.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.458 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 97.5 p -156.14 160.73 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.609 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -132.35 148.59 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.51 -152.04 48.91 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -68.06 139.7 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.615 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 12.5 p -179.73 116.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.587 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.61 118.78 21.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.494 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.81 100.45 11.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -115.03 128.74 56.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.42 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.33 -166.51 1.12 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.41 -54.83 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.646 0.26 . . . . 0.0 110.999 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.83 -106.39 1.36 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 44.9 p -108.05 107.65 18.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.768 0.318 . . . . 0.0 110.201 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -148.05 134.86 20.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.714 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 66.0 m -109.84 136.05 49.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.132 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' THR . . . . . 0.426 ' C ' ' OG1' ' C' ' 71' ' ' THR . 36.0 p -74.06 166.64 42.77 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.288 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . 0.409 ' N ' ' OG1' ' C' ' 71' ' ' THR . 44.3 Cg_endo -89.03 103.4 0.39 Allowed 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.803 2.335 . . . . 0.0 114.329 -175.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.25 120.17 6.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.492 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.06 -87.69 0.27 Allowed Glycine 0 CA--C 1.527 0.844 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.0 86.75 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.186 0.517 . . . . 0.0 110.59 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.98 105.03 3.01 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.63 122.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 86.5 m -110.17 110.15 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.351 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.68 90.75 0.63 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.84 123.5 0.7 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -93.95 -41.44 9.59 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.28 -67.48 1.21 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 45.5 t -148.42 112.86 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.22 84.86 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.331 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -126.01 118.19 24.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.362 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 96.8 p -145.01 167.16 23.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.018 0.437 . . . . 0.0 111.198 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -139.01 129.66 26.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.033 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.07 173.16 16.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.869 0.366 . . . . 0.0 111.325 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.71 157.84 12.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.613 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.1 t -164.0 175.37 10.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.675 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.94 77.0 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.11 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.36 50.09 0.11 Allowed Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.387 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.74 114.15 26.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 0.0 110.663 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.95 128.65 38.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.821 0.343 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.34 28.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.243 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 66.18 -165.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.467 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.78 0.324 . . . . 0.0 110.683 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.99 159.13 35.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -127.17 130.08 49.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.68 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -127.05 149.2 50.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.526 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.48 -52.32 1.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.02 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.78 132.49 38.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.472 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 109.95 77.36 0.94 Allowed Glycine 0 C--O 1.222 -0.613 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.679 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' C' ' 49' ' ' GLY . 68.5 m-85 26.18 70.83 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.17 93.96 0.24 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.19 94.54 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.841 0.353 . . . . 0.0 110.144 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.72 149.44 16.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -125.85 138.44 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -129.56 143.78 50.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.75 137.87 20.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.395 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 97.7 p -156.14 160.82 40.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.42 148.63 52.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.529 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.46 -152.1 49.07 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.88 139.62 56.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 0.0 110.657 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 12.3 p -179.79 116.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.523 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.57 118.77 21.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -100.83 100.47 11.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -115.0 128.88 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.368 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.44 -166.48 1.15 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -54.79 19.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.612 0.244 . . . . 0.0 111.037 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.74 -106.31 1.36 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 45.0 p -108.07 107.61 18.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 110.204 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -148.0 135.03 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.572 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.91 135.94 49.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 71' ' ' THR . . . . . 0.426 ' OG1' ' C ' ' B' ' 71' ' ' THR . 36.7 p -74.05 166.68 42.42 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.26 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . 0.407 ' N ' ' OG1' ' D' ' 71' ' ' THR . 43.8 Cg_endo -89.08 103.2 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 122.705 2.27 . . . . 0.0 114.494 -175.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.05 120.2 6.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.537 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.08 -87.68 0.27 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.97 86.8 2.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.171 0.51 . . . . 0.0 110.583 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.06 105.15 3.02 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.55 122.24 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.842 0.353 . . . . 0.0 111.077 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m -110.29 110.26 21.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.333 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.59 90.75 0.63 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.82 123.46 0.69 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -93.91 -41.38 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.27 -67.5 1.2 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 45.3 t -148.45 112.96 5.32 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 84.73 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.366 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.91 118.16 24.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.376 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 96.6 p -144.96 167.24 23.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.12 129.74 25.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.993 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.12 173.11 16.91 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.307 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 97.8 p -166.76 157.7 12.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.646 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -163.94 175.18 10.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.621 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.85 77.34 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.161 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.52 50.17 0.11 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.75 114.17 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.676 0.274 . . . . 0.0 110.665 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.97 128.64 38.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.33 119.35 29.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.253 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 66.13 -165.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.625 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 22.1 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.452 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.808 0.337 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.05 159.14 35.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -127.3 130.12 48.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.71 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.07 149.16 50.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.494 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.51 -52.41 1.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.937 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.56 132.71 39.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 109.79 77.45 0.95 Allowed Glycine 0 C--O 1.223 -0.567 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.689 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' D' ' 49' ' ' GLY . 69.4 m-85 26.11 70.85 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 178.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.17 93.96 0.24 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.27 94.46 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.842 0.353 . . . . 0.0 110.12 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.63 149.5 16.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.91 138.43 53.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.466 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -129.6 143.7 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.724 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 47.1 t -149.64 137.87 20.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.448 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.12 160.74 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.603 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -132.38 148.65 52.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.51 -151.98 48.84 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -68.11 139.65 56.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.639 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.73 116.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.44 118.83 20.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.486 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.9 100.38 11.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -115.12 128.75 56.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.448 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.26 -166.52 1.1 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.39 -54.68 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.583 0.23 . . . . 0.0 111.069 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.64 -106.24 1.36 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 45.0 p -108.12 107.56 18.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.746 0.307 . . . . 0.0 110.317 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -147.97 135.01 20.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.709 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 66.4 m -109.89 136.06 49.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 71' ' ' THR . . . . . 0.427 ' C ' ' OG1' ' E' ' 71' ' ' THR . 36.5 p -74.13 166.79 41.52 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.201 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . 0.407 ' N ' ' OG1' ' E' ' 71' ' ' THR . 43.2 Cg_endo -89.25 103.19 0.37 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.762 2.308 . . . . 0.0 114.529 -175.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.91 120.03 6.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.628 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.02 -87.62 0.27 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.86 86.77 2.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.133 0.492 . . . . 0.0 110.571 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.03 105.19 3.03 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.68 122.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.381 . . . . 0.0 111.066 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 87.1 m -110.07 110.21 21.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.508 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.75 90.81 0.63 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.74 123.55 0.7 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -94.0 -41.3 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.32 -67.39 1.24 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.5 112.98 5.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.901 0.381 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 84.74 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.92 118.12 24.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.354 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 97.3 p -144.93 167.21 23.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.921 0.391 . . . . 0.0 111.222 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.15 129.63 25.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.969 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.06 173.06 17.02 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.32 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.67 157.79 12.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -163.96 175.16 10.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.629 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.83 77.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.64 50.16 0.11 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.74 114.17 26.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.652 0.263 . . . . 0.0 110.651 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.98 128.58 38.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.919 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.39 29.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.21 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 66.14 -165.76 0.22 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.598 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.366 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.755 0.312 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -70.93 159.16 35.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 94.5 m -127.37 130.28 49.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.628 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -126.96 149.25 49.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.536 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.23 -50.25 1.91 Allowed 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 119.458 -0.897 . . . . 0.0 111.994 177.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 43.3 t -131.31 131.17 43.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.8 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.76 71.98 0.63 Allowed Glycine 0 C--O 1.218 -0.885 0 C-N-CA 118.385 -1.864 . . . . 0.0 112.818 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' E' ' 49' ' ' GLY . 69.9 m-85 25.83 75.69 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.241 0.617 . . . . 0.0 111.128 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.09 92.04 0.29 Allowed Glycine 0 CA--C 1.517 0.167 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.98 94.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.39 . . . . 0.0 110.081 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.7 149.54 16.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.507 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.81 138.5 53.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.532 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -129.6 143.77 50.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.766 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -149.67 137.86 20.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.45 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -156.15 160.8 40.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.565 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -132.41 148.64 52.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.601 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.44 -152.04 49.02 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.85 139.61 56.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.745 0.307 . . . . 0.0 110.672 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 12.5 p -179.77 116.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.579 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.57 118.61 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -100.62 100.21 10.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -115.0 128.75 56.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.291 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.92 -166.69 1.01 Allowed Glycine 0 CA--C 1.525 0.667 0 O-C-N 123.909 0.755 . . . . 0.0 111.512 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.26 -54.83 18.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.667 0.27 . . . . 0.0 111.089 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.22 -106.15 1.38 Allowed Glycine 0 N--CA 1.465 0.579 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 45.6 p -108.09 107.3 17.9 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.79 135.67 21.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.419 0.628 . . . . 0.0 110.54 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -110.67 136.53 49.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 71' ' ' THR . . . . . 0.434 ' C ' ' OG1' ' F' ' 71' ' ' THR . 37.8 p -74.29 166.83 41.39 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.335 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . 0.406 ' N ' ' OG1' ' F' ' 71' ' ' THR . 53.0 Cg_endo -90.49 107.89 0.34 Allowed 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.271 1.314 . . . . 0.0 113.285 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -57.7 120.43 8.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.432 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.79 -87.26 0.27 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -128.88 85.13 2.29 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.015 0.436 . . . . 0.0 110.964 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.42 103.56 2.73 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.3 122.01 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.991 0.424 . . . . 0.0 111.076 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 85.5 m -109.75 110.24 21.19 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.088 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.08 90.81 0.64 Allowed Glycine 0 CA--C 1.541 1.693 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.55 121.59 0.58 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -90.28 -45.85 8.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.498 -0.351 . . . . 0.0 111.762 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -43.33 -67.52 0.97 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 45.3 t -148.42 112.96 5.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.06 84.26 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.197 0.936 . . . . 0.0 110.706 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.63 117.33 23.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.399 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 96.8 p -144.57 167.0 23.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.16 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 43.2 t -139.0 129.65 26.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.02 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.11 173.09 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.304 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 97.2 p -166.48 157.36 12.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.7 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 48.1 t -162.88 175.69 10.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.759 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.78 76.89 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.207 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.48 49.97 0.11 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -96.29 113.94 25.58 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.959 -0.141 . . . . 0.0 110.986 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.96 128.75 39.1 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.03 119.31 29.16 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.754 0.659 . . . . 0.0 109.991 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t 66.27 -165.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.738 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.44 -179.923 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.818 0.342 . . . . 0.0 110.672 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.99 159.17 35.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -127.36 130.16 48.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.646 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.06 149.1 50.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.55 -52.23 1.93 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.031 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.67 132.51 39.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.438 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 109.85 77.64 0.96 Allowed Glycine 0 C--O 1.222 -0.628 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.695 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' F' ' 49' ' ' GLY . 69.2 m-85 25.76 70.94 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.2 93.91 0.24 Allowed Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.26 94.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 110.159 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.71 149.46 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.86 138.35 53.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.566 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -129.43 143.71 50.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.69 137.92 20.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.418 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.2 160.75 40.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.555 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -132.34 148.59 52.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.53 -152.03 48.86 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.88 139.62 56.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.773 0.321 . . . . 0.0 110.637 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.82 116.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.606 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.5 118.83 21.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.91 100.43 11.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -114.99 128.99 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.54 -166.37 1.16 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -54.97 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.668 0.27 . . . . 0.0 110.999 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.93 -106.43 1.36 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 45.2 p -107.98 107.66 18.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -148.06 135.09 20.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 66.7 m -110.06 136.03 49.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 71' ' ' THR . . . . . 0.434 ' OG1' ' C ' ' E' ' 71' ' ' THR . 36.9 p -74.1 166.77 41.73 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.246 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . 0.406 ' N ' ' OG1' ' G' ' 71' ' ' THR . 44.1 Cg_endo -89.22 103.18 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.706 2.271 . . . . 0.0 114.459 -175.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.93 120.1 6.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.518 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.06 -87.86 0.27 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.53 86.6 2.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.12 0.486 . . . . 0.0 110.613 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.96 105.11 3.01 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.48 122.22 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.929 0.395 . . . . 0.0 111.056 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 86.8 m -110.17 110.23 21.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.369 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.63 90.82 0.63 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.79 123.45 0.69 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -93.93 -41.34 9.65 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.21 -67.52 1.19 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.4 112.95 5.33 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.3 84.75 2.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.295 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -125.94 118.13 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.353 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 96.6 p -145.02 167.2 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 111.182 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 43.4 t -139.04 129.61 25.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.123 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.05 173.09 16.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.362 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 97.1 p -166.7 157.76 12.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.636 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.91 175.3 10.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.641 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.92 77.45 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.62 50.19 0.11 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -97.75 114.17 26.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.749 0.309 . . . . 0.0 110.651 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.95 128.56 38.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.25 119.3 28.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.268 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 66.11 -165.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.442 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.804 0.335 . . . . 0.0 110.672 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.01 159.17 35.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -127.2 130.14 49.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.703 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.15 149.15 50.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.506 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.41 -52.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.056 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 48.5 t -134.75 132.49 38.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.471 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 109.9 77.4 0.94 Allowed Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.624 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' G' ' 49' ' ' GLY . 68.5 m-85 26.16 70.88 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.21 93.97 0.25 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.19 94.47 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.803 0.335 . . . . 0.0 110.144 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.63 149.5 16.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.536 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.9 138.36 53.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -129.52 143.73 50.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.786 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 47.1 t -149.69 137.84 20.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.402 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 95.8 p -156.09 160.81 40.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.39 148.66 52.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.43 -151.98 48.96 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.97 139.61 56.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 110.56 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.75 116.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.527 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.53 118.79 21.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.82 100.44 11.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -115.0 128.88 56.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.371 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.42 -166.47 1.14 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -54.79 19.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.589 0.233 . . . . 0.0 111.021 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.74 -106.41 1.37 Allowed Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 45.3 p -108.03 107.59 18.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.718 0.294 . . . . 0.0 110.223 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.99 134.93 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.6 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.86 136.05 49.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.186 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 71' ' ' THR . . . . . 0.428 ' OG1' ' C ' ' F' ' 71' ' ' THR . 35.6 p -74.01 166.76 41.72 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.292 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . 0.404 ' N ' ' OG1' ' H' ' 71' ' ' THR . 43.7 Cg_endo -89.22 103.18 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.771 2.314 . . . . 0.0 114.43 -175.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.91 120.13 6.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.575 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.04 -87.53 0.27 Allowed Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.1 86.79 2.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.208 0.528 . . . . 0.0 110.551 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.99 105.06 3.01 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.65 122.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.901 0.381 . . . . 0.0 111.11 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 87.2 m -110.21 110.22 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.355 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.58 90.72 0.63 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.84 123.48 0.69 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -93.91 -41.5 9.58 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.18 -67.48 1.2 Allowed Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 45.1 t -148.47 112.93 5.31 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.3 84.82 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.332 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -125.96 118.09 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.383 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 97.0 p -144.95 167.19 23.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.99 0.424 . . . . 0.0 111.162 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -139.01 129.65 25.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.064 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.11 173.17 16.84 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.3 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.7 157.76 12.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.92 175.25 10.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.722 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.89 77.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.754 0.312 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.65 50.18 0.11 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.86 114.16 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.91 128.61 38.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.43 29.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 66.1 -165.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.401 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.832 0.349 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 83.3 p -70.9 159.2 35.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -127.37 130.14 48.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.662 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -127.08 149.06 50.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.561 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.48 -52.28 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.05 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -134.72 132.47 38.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.503 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 109.97 77.32 0.93 Allowed Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.776 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' H' ' 49' ' ' GLY . 69.2 m-85 26.22 70.82 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.25 94.05 0.25 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.21 94.43 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.173 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.64 149.41 16.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.618 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.83 138.38 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -129.46 143.73 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 47.0 t -149.73 137.92 20.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.408 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.16 160.78 40.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.628 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.38 148.69 52.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.37 -152.01 49.09 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.98 139.62 56.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 0.0 110.643 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.75 116.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.48 118.72 20.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.582 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.81 100.37 11.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.2 m -115.04 128.9 56.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.36 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.43 -166.4 1.13 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -54.9 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.623 0.249 . . . . 0.0 111.039 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.91 -106.33 1.35 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 45.6 p -108.03 107.54 18.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.98 135.0 20.27 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.572 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.88 136.1 49.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 71' ' ' THR . . . . . 0.428 ' OG1' ' C ' ' G' ' 71' ' ' THR . 36.9 p -74.12 166.88 40.74 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.252 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -89.25 103.09 0.37 Allowed 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.809 2.339 . . . . 0.0 114.418 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.9 120.11 6.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.579 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.09 -87.65 0.27 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.77 86.66 2.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.084 0.468 . . . . 0.0 110.598 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.93 105.24 3.02 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.47 122.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.147 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m -110.09 110.29 21.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.378 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.67 90.9 0.63 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.78 123.53 0.7 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -94.08 -41.35 9.58 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.32 -67.43 1.23 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.768 -0.533 . . . . 0.0 111.768 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -148.42 112.92 5.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.958 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.24 84.71 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.344 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.91 118.08 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.468 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 96.7 p -144.95 167.21 23.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.981 0.419 . . . . 0.0 111.218 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.09 129.63 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.026 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.09 173.06 17.01 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.289 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 97.6 p -166.69 157.71 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.627 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.95 175.08 10.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.721 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.74 77.82 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.88 50.25 0.11 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.414 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.81 114.08 26.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.352 . . . . 0.0 110.675 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.88 128.62 38.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.35 119.27 28.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.241 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 66.16 -165.9 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.428 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.764 0.316 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.05 159.29 35.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.9 m -127.49 130.02 48.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.683 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -127.31 148.27 50.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.626 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.96 -52.82 1.97 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.992 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -134.17 132.71 40.11 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.482 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 109.97 77.38 0.94 Allowed Glycine 0 C--O 1.223 -0.541 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.635 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' I' ' 49' ' ' GLY . 68.2 m-85 25.94 72.26 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.28 93.98 0.31 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 67.22 93.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.837 0.351 . . . . 0.0 110.188 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.14 149.6 17.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -125.89 138.45 53.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -129.59 143.76 50.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.79 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.71 137.93 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.448 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 96.8 p -156.24 160.78 40.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.601 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -132.34 148.6 52.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.45 -152.01 48.96 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.94 139.63 56.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.79 0.328 . . . . 0.0 110.659 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.77 116.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.571 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.53 118.7 20.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.543 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.83 100.45 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -114.86 129.13 56.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.67 -166.23 1.18 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.73 -54.59 22.09 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.308 -0.157 . . . . 0.0 111.01 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.81 -106.58 1.39 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 47.7 p -107.82 107.31 18.01 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -147.71 134.89 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.8 m -109.79 135.85 50.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 111.002 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 71' ' ' THR . . . . . 0.416 ' OG1' ' C ' ' H' ' 71' ' ' THR . 41.8 p -73.21 168.07 28.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -89.6 103.61 0.35 Allowed 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 122.749 2.299 . . . . 0.0 114.341 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -55.21 120.57 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.16 -87.41 0.27 Allowed Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.64 86.4 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 110.478 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.56 105.56 3.02 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.47 122.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.808 0.337 . . . . 0.0 111.041 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 89.1 m -110.07 110.2 21.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.41 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.4 90.93 0.64 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.87 123.5 0.7 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -94.0 -41.49 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.615 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.09 -67.25 1.24 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.57 112.99 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.34 84.89 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.366 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -126.04 118.06 24.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.353 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 97.1 p -144.91 166.99 23.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.972 0.415 . . . . 0.0 111.132 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -138.78 129.68 26.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.043 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.22 172.75 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 111.282 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -166.34 157.74 13.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.606 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -163.93 174.59 11.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.75 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -171.44 79.6 0.07 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.03 50.32 0.1 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 178.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -97.9 114.02 25.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.691 0.281 . . . . 0.0 110.602 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.98 128.68 38.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.43 119.4 29.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.218 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t 66.18 -165.89 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.617 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 22.1 t80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.436 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.622 0.249 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -96.47 152.92 18.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.044 0.45 . . . . 0.0 111.561 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.5 m -128.96 125.89 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.497 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.29 139.69 25.93 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.892 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -93.52 -41.94 9.5 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.421 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -134.86 171.91 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.598 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.92 69.63 1.37 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.806 -0.518 . . . . 0.0 111.806 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 26.62 72.24 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.17 91.75 0.3 Allowed Glycine 0 CA--C 1.522 0.476 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 68.1 93.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.834 0.35 . . . . 0.0 110.067 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -158.44 145.44 17.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.4 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -126.64 145.82 50.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.71 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -131.23 143.43 50.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.398 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.45 136.78 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.739 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 t -156.76 144.8 19.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.488 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.22 132.76 56.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.617 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.47 133.52 4.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.32 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.772 0.32 . . . . 0.0 110.67 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.56 140.53 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.65 67.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.84 117.52 34.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -128.14 131.34 48.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.52 -162.28 0.6 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.36 -53.39 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.943 0.401 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.57 -99.93 1.28 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.6 p -111.22 104.61 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.404 . . . . 0.0 110.396 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -161.07 173.75 14.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.544 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.7 t -139.54 130.62 26.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.251 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.0 p -69.0 173.35 3.75 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -90.82 104.62 0.28 Allowed 'Trans proline' 0 N--CA 1.487 1.123 0 C-N-CA 122.388 2.059 . . . . 0.0 114.611 -176.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -59.95 133.28 55.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.184 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.99 -91.73 0.32 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.24 -58.78 2.09 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.819 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.17 107.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.87 95.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.3 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.9 m -88.35 106.35 18.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.142 0.496 . . . . 0.0 110.592 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.87 -149.96 15.28 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.24 72.68 0.44 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -48.35 168.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.674 0.274 . . . . 0.0 110.661 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.39 47.88 1.27 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 66.74 140.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.1 m -103.78 -65.63 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.443 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.35 78.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.688 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.4 m -157.57 162.93 38.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.975 0.416 . . . . 0.0 111.237 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.6 p -144.16 148.5 35.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.041 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.88 166.53 15.5 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.028 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -164.18 162.32 22.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.68 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -163.57 158.17 20.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.91 72.27 0.25 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.23 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.22 50.04 0.09 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.76 119.06 35.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.69 136.01 30.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.0 m -130.58 122.48 27.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.295 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t 53.61 57.41 6.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.548 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.605 0.24 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.27 152.86 18.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.119 0.485 . . . . 0.0 111.455 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 82.7 m -128.91 126.01 38.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.564 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.5 139.72 25.67 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.091 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.77 -41.89 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.381 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -134.71 172.74 12.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 110.542 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 74.18 70.74 1.2 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.716 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' B' ' 49' ' ' GLY . 68.1 m-85 25.37 72.78 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.6 91.73 0.33 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.21 93.8 0.07 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.912 0.387 . . . . 0.0 110.021 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -158.44 145.41 17.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.434 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -126.7 145.82 50.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.694 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -131.2 143.38 50.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.43 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -146.44 136.85 23.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.73 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -156.81 144.85 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.439 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.27 132.78 56.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.607 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.49 133.45 4.97 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.44 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.59 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 47.1 t -148.57 140.44 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.55 66.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.78 117.56 34.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.52 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -127.94 131.57 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.82 -162.15 0.64 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.58 -53.26 24.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.639 0.257 . . . . 0.0 110.734 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.7 -100.26 1.31 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 28.7 p -111.05 104.45 13.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.665 0.269 . . . . 0.0 110.434 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.86 174.04 14.45 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.415 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.4 t -139.67 130.61 26.23 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.177 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.27 173.66 3.62 Favored Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -91.14 102.35 0.25 Allowed 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.559 2.173 . . . . 0.0 115.159 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.76 133.31 55.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.399 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.98 -91.77 0.32 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.82 -58.93 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.631 0.253 . . . . 0.0 110.811 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.32 108.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.74 95.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.878 0.37 . . . . 0.0 110.305 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 59.6 m -88.14 106.24 18.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.84 -149.23 14.7 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.02 72.77 0.42 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -48.41 168.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.33 48.1 1.25 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 66.91 141.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m -104.29 -65.56 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.343 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.42 77.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.717 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 65.6 m -157.53 162.92 38.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 0.0 111.15 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 92.3 p -144.13 148.41 35.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.043 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.86 166.53 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.064 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.08 162.3 22.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.777 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 31.4 t -163.54 158.25 20.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.9 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.25 74.09 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.081 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.62 50.04 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.67 118.96 35.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.78 136.19 30.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.67 122.32 27.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.348 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.74 57.39 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.464 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.612 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.629 0.252 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -96.25 152.78 18.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.09 0.471 . . . . 0.0 111.572 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 80.7 m -128.81 126.01 38.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.544 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.44 139.72 25.75 Favored 'General case' 0 C--O 1.22 -0.463 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.137 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.74 -41.93 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.443 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.75 172.74 12.54 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.548 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 74.15 70.82 1.19 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.66 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' C' ' 49' ' ' GLY . 67.8 m-85 25.23 72.91 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.71 91.72 0.34 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.29 93.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.46 145.26 17.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.423 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -126.6 145.81 50.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.731 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -131.24 143.46 50.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.399 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.48 136.77 23.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.697 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -156.78 144.89 19.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.438 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.27 132.8 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.634 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.43 133.42 4.94 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.45 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.644 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 47.1 t -148.55 140.53 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.64 66.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.76 117.55 34.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 93.1 m -127.96 131.67 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.98 -162.14 0.67 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.5 -53.3 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.737 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.76 -100.27 1.31 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -111.08 104.51 13.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.678 0.275 . . . . 0.0 110.349 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.86 174.03 14.46 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.519 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.64 130.54 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.139 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.33 173.69 3.63 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -90.99 102.14 0.25 Allowed 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.707 2.272 . . . . 0.0 115.181 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.62 133.35 55.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.401 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.0 -91.72 0.32 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -58.92 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.658 0.266 . . . . 0.0 110.791 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.4 108.05 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t 53.79 95.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.303 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 59.1 m -87.97 106.29 18.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.756 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.82 -149.45 14.91 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.12 72.85 0.41 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -48.48 168.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.69 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.36 48.05 1.25 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 66.97 141.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.37 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 22.7 m -104.37 -65.68 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.239 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.49 77.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 65.5 m -157.45 162.89 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.003 0.43 . . . . 0.0 111.148 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 92.1 p -144.02 148.55 35.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.058 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.93 166.49 15.41 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.164 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.16 162.22 22.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.775 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 31.2 t -163.48 158.21 20.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.22 74.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.126 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.51 50.08 0.08 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.73 118.83 35.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.64 136.16 30.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.64 122.4 27.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.355 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.78 57.22 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.554 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.54 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.645 0.259 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -96.23 152.81 18.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.049 0.452 . . . . 0.0 111.53 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 80.6 m -128.99 125.9 38.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.593 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.3 139.7 25.92 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.216 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -93.83 -41.86 9.41 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.344 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.86 172.72 12.59 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.562 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 74.18 70.86 1.18 Allowed Glycine 0 CA--C 1.525 0.713 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.671 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' D' ' 49' ' ' GLY . 67.4 m-85 25.17 73.11 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.85 91.81 0.35 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.17 93.83 0.07 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.068 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.53 145.32 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.374 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 67.2 m -126.66 145.76 50.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.717 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -131.24 143.56 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.335 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.54 136.71 23.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -156.7 144.94 19.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.418 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.33 132.88 56.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.38 133.52 4.95 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.3 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.623 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 47.0 t -148.48 140.54 23.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.59 66.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.639 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.76 117.57 34.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.6 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -128.04 131.6 49.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.64 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.85 -162.05 0.64 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.6 -53.17 25.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.682 0.277 . . . . 0.0 110.795 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.58 -100.17 1.31 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -111.04 104.43 12.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.641 0.258 . . . . 0.0 110.48 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.87 174.04 14.44 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.452 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.65 130.58 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 111.117 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.41 173.84 3.53 Favored Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -91.2 102.19 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 122.629 2.219 . . . . 0.0 115.302 -175.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.55 133.25 55.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.449 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.98 -91.64 0.32 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -58.95 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.791 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.35 108.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 11.6 t 53.76 95.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.952 0.406 . . . . 0.0 110.291 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 59.0 m -87.95 106.1 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.87 -149.36 14.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.15 72.83 0.41 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -48.45 168.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.596 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.26 48.05 1.26 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 67.08 141.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 22.3 m -104.36 -65.65 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.278 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.42 77.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 66.0 m -157.53 162.91 38.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 0.0 111.211 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 92.1 p -144.11 148.49 35.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.03 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.91 166.49 15.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.177 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.12 162.21 22.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.742 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 31.8 t -163.51 158.08 20.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.26 74.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.085 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.38 50.08 0.08 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.71 118.93 35.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.75 136.06 30.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.61 122.34 27.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.379 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.75 57.25 6.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.581 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.638 0.256 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.17 152.75 18.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.071 0.462 . . . . 0.0 111.554 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 82.0 m -128.95 126.22 39.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.572 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.82 140.26 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.245 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -95.26 -42.06 8.73 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.482 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -131.03 172.72 11.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.756 0.312 . . . . 0.0 111.3 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 75.0 70.76 1.22 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' E' ' 49' ' ' GLY . 69.7 m-85 22.37 77.45 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 O-C-N 124.422 0.719 . . . . 0.0 111.667 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.66 90.38 0.47 Allowed Glycine 0 CA--C 1.518 0.22 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.68 94.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.951 0.405 . . . . 0.0 109.946 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.55 145.32 17.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 68.1 m -126.5 146.15 50.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -131.37 143.5 50.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.49 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.49 136.76 23.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.792 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -156.77 144.84 19.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.445 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.25 132.89 56.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.605 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.44 133.49 4.96 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.38 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.629 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.54 140.51 23.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.507 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.63 67.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.561 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -104.02 117.75 35.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.479 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -128.11 131.47 49.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.458 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.49 -162.24 0.59 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.42 -53.91 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.567 0.222 . . . . 0.0 110.628 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.13 -100.44 1.3 Allowed Glycine 0 N--CA 1.461 0.349 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 28.7 p -110.95 104.32 12.9 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.649 0.262 . . . . 0.0 110.418 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.79 174.01 14.53 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.455 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.64 130.59 26.25 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.136 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 7.8 p -69.36 173.81 3.54 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -92.64 107.67 0.21 Allowed 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 120.876 1.051 . . . . 0.0 113.903 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -60.4 133.18 55.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.247 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.97 -90.99 0.32 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.45 -57.83 2.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.29 109.84 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.331 -1.108 . . . . 0.0 110.331 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t 51.63 97.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.29 0.566 . . . . 0.0 110.086 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 59.5 m -88.8 106.27 18.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.685 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.2 14.7 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.18 72.51 0.46 Allowed Glycine 0 N--CA 1.459 0.216 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -48.91 168.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.402 . . . . 0.0 110.492 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.42 49.0 1.15 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 66.22 142.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.351 0.596 . . . . 0.0 111.023 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.24 -66.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.48 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.67 78.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 66.0 m -157.6 162.89 38.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.948 0.404 . . . . 0.0 111.208 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 92.4 p -144.07 148.49 35.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.149 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.96 166.5 15.35 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.191 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 97.0 p -163.8 162.25 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.728 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 31.5 t -162.8 158.45 22.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -163.94 74.11 0.3 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.303 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.98 50.09 0.08 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.36 118.62 33.28 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.943 -0.151 . . . . 0.0 111.076 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.65 136.22 30.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.682 0.277 . . . . 0.0 110.599 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 43.1 m -130.42 122.21 27.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.098 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 16.0 t 53.8 57.44 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.569 0.543 . . . . 0.0 110.556 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.596 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.564 0.221 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -96.22 152.87 18.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.079 0.466 . . . . 0.0 111.49 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 82.2 m -128.96 126.12 38.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.513 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.5 139.67 25.63 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 120.579 -0.449 . . . . 0.0 111.226 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.62 -42.0 9.43 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.397 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.66 172.98 12.19 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.559 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 73.86 71.09 1.15 Allowed Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.727 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' F' ' 49' ' ' GLY . 66.7 m-85 24.84 73.07 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.79 91.77 0.35 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 68.21 93.75 0.07 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.4 145.34 17.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -126.6 145.84 50.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.697 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -131.29 143.46 50.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.388 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.5 136.83 23.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.692 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -156.77 144.92 19.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.378 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.24 132.8 56.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.639 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.5 133.57 5.02 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.34 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.644 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.5 140.55 23.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.526 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.63 66.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.564 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.82 117.62 34.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.503 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 93.4 m -128.05 131.66 49.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.487 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.92 -162.02 0.65 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.62 -53.32 24.77 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.755 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.7 -100.24 1.31 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -110.97 104.65 13.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.646 0.26 . . . . 0.0 110.46 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.97 174.09 14.31 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.467 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.71 130.57 26.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.074 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.36 173.61 3.72 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -91.03 102.14 0.25 Allowed 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.608 2.205 . . . . 0.0 115.268 -175.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.45 133.36 55.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.409 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.93 -91.79 0.32 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.6 -59.01 2.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.778 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.42 108.16 0.01 OUTLIER Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.55 95.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.341 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 59.4 m -88.09 106.32 18.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.4 14.88 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.1 72.93 0.4 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -48.5 168.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.378 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.35 48.07 1.25 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 67.08 141.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 22.6 m -104.42 -65.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.25 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.48 77.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.706 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 65.9 m -157.54 162.93 38.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 111.186 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 92.3 p -144.07 148.37 35.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.107 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.78 166.57 15.67 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.734 -0.387 . . . . 0.0 111.116 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 97.5 p -164.23 162.24 22.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.672 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 31.7 t -163.45 158.19 20.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.18 74.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.057 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.43 50.07 0.08 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.66 118.87 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.7 136.07 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 43.3 m -130.63 122.41 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.361 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.69 57.31 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.619 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.626 0.251 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 70.0 m -96.07 152.82 18.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.128 0.489 . . . . 0.0 111.52 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 81.2 m -128.93 125.92 38.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.544 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.37 139.68 25.81 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.167 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.74 -41.99 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.384 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.7 172.67 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.905 0.383 . . . . 0.0 110.577 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 74.16 70.92 1.17 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.689 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' G' ' 49' ' ' GLY . 67.9 m-85 25.1 73.02 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.69 91.78 0.34 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.14 93.77 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.063 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 47.7 t -158.42 145.31 17.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.411 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -126.58 145.9 50.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.696 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -131.32 143.34 50.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.43 136.8 23.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.708 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 47.5 t -156.77 144.88 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.443 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.21 132.81 56.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.664 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.35 133.48 4.92 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.43 -174.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.313 . . . . 0.0 110.66 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.45 140.55 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.65 67.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.607 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.85 117.6 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 93.3 m -128.0 131.62 49.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.87 -162.02 0.64 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.6 -53.34 24.47 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.714 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.69 -100.24 1.31 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -111.0 104.46 13.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.663 0.268 . . . . 0.0 110.458 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.82 174.15 14.31 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.54 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.76 130.57 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.065 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.31 173.72 3.59 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -91.09 102.06 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.441 0 C-N-CA 122.639 2.226 . . . . 0.0 115.224 -175.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.44 133.33 55.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.485 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.0 -91.74 0.32 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.87 -58.94 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.769 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.42 108.17 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t 53.62 95.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.377 . . . . 0.0 110.369 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 58.9 m -87.94 106.27 18.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.805 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.79 -149.39 14.89 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.14 72.82 0.41 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -48.45 168.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 110.619 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.37 48.0 1.25 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 67.09 141.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 21.9 m -104.3 -65.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.34 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.46 77.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.716 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 65.6 m -157.5 162.92 38.88 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.202 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 92.2 p -144.11 148.4 35.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.055 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.82 166.52 15.62 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.119 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 97.6 p -164.16 162.31 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.719 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 31.6 t -163.46 158.16 20.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.27 74.47 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.011 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.44 50.01 0.08 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.65 118.84 35.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.66 136.03 30.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -130.57 122.47 27.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.347 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t 53.62 57.34 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.593 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.741 0.305 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.15 152.85 18.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.066 0.46 . . . . 0.0 111.492 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 81.6 m -128.91 126.0 38.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.605 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.43 139.61 25.69 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.272 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.8 -41.78 9.47 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.425 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.82 172.68 12.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.941 0.401 . . . . 0.0 110.436 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 74.14 70.98 1.17 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.674 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' H' ' 49' ' ' GLY . 67.8 m-85 25.16 72.92 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.76 91.7 0.34 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.22 93.64 0.07 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.918 0.389 . . . . 0.0 110.115 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -158.37 145.41 17.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.37 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 67.9 m -126.7 145.88 50.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.672 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -131.22 143.42 50.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 48.0 t -146.43 136.84 23.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.726 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -156.81 144.88 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.429 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.2 132.84 56.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.649 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.43 133.41 4.93 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.43 -174.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.854 0.359 . . . . 0.0 110.608 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.52 140.51 23.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.58 67.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.581 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.89 117.56 34.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.505 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -127.99 131.68 49.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.93 -162.02 0.65 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.58 -53.44 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.612 0.244 . . . . 0.0 110.674 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.76 -100.25 1.3 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -111.03 104.52 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.638 0.256 . . . . 0.0 110.433 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.87 174.09 14.37 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.431 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.73 130.6 26.11 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.068 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.34 173.73 3.59 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -91.05 102.11 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.604 2.203 . . . . 0.0 115.193 -175.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.51 133.36 55.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.405 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.99 -91.8 0.32 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 -58.99 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.817 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.36 108.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.62 95.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.247 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 59.5 m -87.97 106.23 17.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.809 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.77 -149.32 14.86 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 72.91 0.4 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -48.46 168.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.651 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.32 48.06 1.25 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 67.07 141.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m -104.41 -65.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.256 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.5 77.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.781 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 65.4 m -157.48 162.97 38.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.973 0.416 . . . . 0.0 111.256 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 92.7 p -144.13 148.4 35.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.84 166.51 15.59 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.125 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 97.0 p -164.08 162.29 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.678 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 31.3 t -163.48 158.27 20.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.36 74.71 0.29 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.25 50.03 0.08 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.68 118.81 35.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.745 0.307 . . . . 0.0 110.933 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.69 136.1 30.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 43.7 m -130.63 122.44 27.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.382 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.69 57.38 6.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.582 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.641 0.258 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.22 152.67 18.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.036 0.446 . . . . 0.0 111.507 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 75.4 m -128.85 126.23 39.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.642 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.58 140.41 26.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -94.74 -42.29 8.82 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.496 -0.481 . . . . 0.0 111.19 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.52 172.79 12.43 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.585 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 74.27 70.88 1.18 Allowed Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.711 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' I' ' 49' ' ' GLY . 66.7 m-85 25.15 74.15 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.8 91.65 0.43 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.28 92.97 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.823 0.344 . . . . 0.0 110.089 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -157.78 145.51 18.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.438 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -126.71 145.86 50.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -131.22 143.54 50.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.375 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.54 136.77 23.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.712 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -156.8 144.84 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.41 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.24 132.9 56.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.44 133.45 4.95 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.35 -174.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.608 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 47.3 t -148.52 140.42 23.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.484 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -170.45 67.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.541 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -104.04 117.61 34.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.525 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 94.0 m -127.89 131.89 49.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.22 -161.87 0.73 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.79 -53.35 25.72 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.83 -100.32 1.31 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 29.5 p -110.92 104.37 12.96 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.82 174.03 14.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.047 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.65 130.93 26.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.912 0.387 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 8.3 p -69.08 174.27 2.96 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -91.01 102.69 0.26 Allowed 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.617 2.211 . . . . 0.0 114.961 -176.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -58.02 133.71 55.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.14 -91.66 0.32 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.44 -59.24 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.038 0.447 . . . . 0.0 110.734 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.7 108.51 0.01 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.52 95.71 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.858 0.361 . . . . 0.0 110.365 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 60.6 m -87.6 105.75 17.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.815 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.38 -149.11 15.12 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.08 73.21 0.37 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -48.77 168.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.144 0.497 . . . . 0.0 110.512 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.28 48.27 1.24 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.9 t 66.86 141.75 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.957 0.408 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 22.6 m -104.52 -65.57 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.295 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.38 77.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 65.7 m -157.48 162.84 38.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 111.21 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 92.2 p -143.99 148.42 35.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.133 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.95 166.24 15.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.131 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -163.79 162.2 23.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -163.41 158.14 20.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.018 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -164.4 76.47 0.33 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.07 50.03 0.07 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.65 118.7 34.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.84 0.353 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.66 136.12 30.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 42.3 m -130.66 122.43 27.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.4 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.69 57.33 6.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.462 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.549 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.741 0.305 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.02 160.34 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.758 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -127.02 129.47 48.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.683 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -125.61 146.62 49.62 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.58 -53.25 2.11 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.308 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -135.52 130.2 34.25 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.8 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.81 75.52 0.84 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.378 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 32.05 70.38 0.1 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.63 96.2 0.49 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 68.43 84.22 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.879 0.371 . . . . 0.0 110.258 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -160.93 144.21 13.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.469 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -142.92 125.84 16.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.535 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -63.19 -46.92 84.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.538 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.34 42.02 13.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.787 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.23 127.14 54.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.392 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -62.61 -39.6 94.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.621 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.8 10.09 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -155.37 131.91 10.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 110.399 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.6 m -130.65 148.07 52.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 49.49 63.47 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.629 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -89.96 113.35 24.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -117.03 130.64 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.535 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.63 -162.2 0.92 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -61.68 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 111.034 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.1 -96.57 0.71 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.2 p -117.43 109.13 16.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.111 0.482 . . . . 0.0 110.303 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -151.55 137.41 18.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.761 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -108.91 133.22 53.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.995 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.3 p -72.82 165.23 54.15 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.747 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.4 ' N ' ' OG1' ' B' ' 71' ' ' THR . 40.8 Cg_endo -90.11 105.97 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.77 2.313 . . . . 0.0 114.268 -176.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -57.15 139.69 51.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.281 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.89 87.41 1.14 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 60.91 81.95 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.238 0.542 . . . . 0.0 111.316 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.42 -88.51 0.01 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.5 p -138.24 132.13 31.29 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.405 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.04 96.65 2.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.03 102.55 0.13 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.57 94.26 0.09 OUTLIER Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -80.72 -72.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.034 0.445 . . . . 0.0 110.416 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.68 -58.33 2.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -160.39 137.46 9.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.3 t -139.57 98.13 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.298 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.88 104.3 9.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -146.85 163.67 35.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 111.211 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.68 150.59 48.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.263 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.75 1.77 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.029 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -170.46 158.37 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.485 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.3 m -163.38 173.71 12.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.5 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.37 78.65 0.07 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.392 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.1 49.77 0.12 Allowed Glycine 0 CA--C 1.528 0.85 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.628 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -98.03 113.36 25.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.706 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -131.22 126.44 35.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.54 107.93 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.41 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.15 25.96 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.657 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.755 0.312 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 87.1 p -73.2 160.33 32.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.6 m -127.06 129.26 47.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.709 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -125.25 146.3 49.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.84 -53.19 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.204 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -135.12 130.71 35.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.94 77.96 1.02 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.059 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 29.58 71.0 0.07 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.09 96.24 0.53 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 68.59 83.95 0.15 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.885 0.374 . . . . 0.0 110.213 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -160.78 144.19 13.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -143.03 125.85 16.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.458 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.24 -46.92 84.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.522 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.37 41.94 13.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.801 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.14 126.75 53.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -62.32 -39.54 93.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.684 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.81 132.83 10.1 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.33 131.98 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.702 0.287 . . . . 0.0 110.396 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 62.2 m -130.76 148.02 52.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.649 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.53 63.48 2.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.13 113.39 25.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.682 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -116.82 130.67 56.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.604 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.9 -162.14 1.01 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -61.79 1.86 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.698 0.285 . . . . 0.0 110.945 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.4 -96.79 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.32 109.05 16.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.794 0.331 . . . . 0.0 110.199 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -151.5 136.61 17.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 74.5 m -107.92 133.13 52.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' THR . . . . . 0.418 ' C ' ' OG1' ' C' ' 71' ' ' THR . 29.9 p -73.2 166.1 46.75 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.551 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . 0.405 ' N ' ' OG1' ' C' ' 71' ' ' THR . 39.6 Cg_endo -90.77 104.29 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 122.967 2.445 . . . . 0.0 114.863 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.36 139.64 42.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.522 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.94 87.44 1.15 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 61.32 82.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 111.213 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.53 -88.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 38.1 p -138.08 132.18 31.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 0.0 110.315 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.87 96.13 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.091 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.92 102.91 0.13 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.69 94.09 0.09 OUTLIER Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.14 -72.09 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 110.434 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.69 -58.24 2.3 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.31 137.55 9.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 110.679 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.63 98.12 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.347 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -120.81 103.44 9.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.523 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.98 163.96 33.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.299 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 92.8 p -136.76 150.47 48.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.249 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.77 176.79 1.8 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 111.118 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 94.0 p -170.49 158.25 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 58.4 m -163.21 173.74 13.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.702 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.52 80.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.234 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.08 49.91 0.1 Allowed Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.599 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.08 113.23 25.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.816 0.341 . . . . 0.0 110.754 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -131.22 126.46 35.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.774 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.46 107.92 11.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.47 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.19 25.86 10.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.733 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.601 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.783 0.325 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.15 160.27 32.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.0 129.29 47.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.662 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.31 146.25 49.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.387 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.78 -53.28 2.08 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.287 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -135.13 130.85 36.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.709 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.8 78.15 1.04 Allowed Glycine 0 C--O 1.222 -0.633 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.041 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 29.29 71.06 0.06 Allowed 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.02 96.27 0.52 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.52 83.96 0.15 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.932 0.396 . . . . 0.0 110.232 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -160.78 144.12 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.548 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -142.94 125.83 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.481 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.14 -46.94 84.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.515 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 59.3 m 47.36 42.0 13.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.731 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.22 126.72 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -62.21 -39.64 93.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.715 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.71 132.8 10.11 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.31 131.99 10.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.765 0.316 . . . . 0.0 110.449 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 61.3 m -130.62 147.98 52.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.734 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.59 63.51 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.614 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.3 113.37 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.584 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.5 m -116.87 130.76 56.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.9 -162.17 1.01 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -61.83 1.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 110.929 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.47 -96.83 0.71 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.27 109.02 16.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.793 0.33 . . . . 0.0 110.31 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -151.38 136.72 17.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.796 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 74.1 m -108.12 133.02 52.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.915 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 71' ' ' THR . . . . . 0.418 ' OG1' ' C ' ' B' ' 71' ' ' THR . 29.9 p -73.18 166.16 46.21 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.537 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . 0.405 ' N ' ' OG1' ' D' ' 71' ' ' THR . 38.6 Cg_endo -90.72 104.04 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 123.009 2.472 . . . . 0.0 114.972 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.13 139.59 41.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.523 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.09 87.48 1.16 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.24 82.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.954 0.407 . . . . 0.0 111.147 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.58 -88.38 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 37.5 p -138.02 132.17 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.236 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.9 96.24 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.093 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.97 103.01 0.14 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.71 94.05 0.09 OUTLIER Glycine 0 CA--C 1.519 0.33 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -81.18 -72.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.67 -58.26 2.29 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -160.4 137.42 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.697 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.53 98.14 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.384 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.86 103.31 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.82 163.99 33.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.225 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 92.7 p -136.78 150.44 48.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.228 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.75 176.76 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.082 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.5 p -170.43 158.28 6.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.427 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.3 173.69 12.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.752 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.51 80.62 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.202 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.32 50.08 0.1 Allowed Glycine 0 CA--C 1.527 0.823 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.473 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.16 113.19 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.705 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.22 126.48 35.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 107.95 11.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.402 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.2 25.9 10.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.649 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.525 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.792 0.33 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.07 160.4 32.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.028 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -127.19 129.13 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -125.17 146.16 49.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.79 -53.27 2.08 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -135.07 131.03 36.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.821 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.75 78.08 1.04 Allowed Glycine 0 C--O 1.222 -0.642 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.018 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 29.21 71.24 0.06 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.06 96.22 0.53 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.61 84.02 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.872 0.368 . . . . 0.0 110.2 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.87 143.98 13.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.639 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -142.86 125.81 16.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -63.15 -47.06 84.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.461 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m 47.49 42.01 13.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.766 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.29 126.59 53.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -62.11 -39.59 93.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.783 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.77 132.75 10.06 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.21 132.05 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.7 0.286 . . . . 0.0 110.439 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 61.6 m -130.72 147.93 52.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.749 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 49.52 63.56 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.958 0.409 . . . . 0.0 110.578 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.19 113.43 25.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.634 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.7 m -117.05 130.59 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.61 -162.06 0.89 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -61.48 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.609 0.242 . . . . 0.0 110.973 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.16 -96.81 0.72 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.25 108.93 16.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.773 0.32 . . . . 0.0 110.366 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -151.45 136.69 17.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.807 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 74.5 m -107.98 133.1 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.963 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 71' ' ' THR . . . . . 0.42 ' C ' ' OG1' ' E' ' 71' ' ' THR . 30.0 p -73.28 166.2 45.96 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . 0.408 ' N ' ' OG1' ' E' ' 71' ' ' THR . 38.4 Cg_endo -90.83 104.09 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 123.032 2.488 . . . . 0.0 114.986 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.2 139.57 41.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.578 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.01 87.46 1.15 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 61.15 82.23 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.98 0.419 . . . . 0.0 111.204 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.55 -88.32 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 39.4 p -138.03 132.31 32.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.31 . . . . 0.0 110.255 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.04 96.04 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.377 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.67 102.86 0.13 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.75 94.03 0.09 OUTLIER Glycine 0 CA--C 1.519 0.305 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.02 -72.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.6 -58.16 2.32 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.43 137.55 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.659 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.63 98.09 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.364 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.81 103.38 9.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.86 163.93 33.54 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.238 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 92.9 p -136.79 150.49 48.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.79 176.73 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 0.0 111.064 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -170.39 158.36 6.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.401 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.36 173.53 13.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.652 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.49 80.68 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.17 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.26 50.02 0.1 Allowed Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.597 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.1 113.11 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 110.763 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.16 126.44 35.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.692 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.47 107.84 11.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.49 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.25 25.85 10.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.76 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.787 0.327 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.09 160.33 32.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.5 m -127.17 129.32 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.665 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -125.12 146.3 49.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.58 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -121.76 -51.21 2.04 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 119.38 -0.928 . . . . 0.0 112.157 178.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 40.4 t -131.28 128.83 40.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.234 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.72 71.95 0.63 Allowed Glycine 0 C--O 1.216 -0.993 0 C-N-CA 118.104 -1.998 . . . . 0.0 113.212 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' E' ' 49' ' ' GLY . 11.6 m-85 29.09 75.63 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.266 0.555 . . . . 0.0 111.213 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.49 93.88 0.55 Allowed Glycine 0 CA--C 1.518 0.225 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 69.38 84.23 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.987 0.423 . . . . 0.0 110.198 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -160.89 144.14 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.5 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.87 125.89 16.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.546 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -63.14 -46.98 84.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.569 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 57.5 m 47.34 41.95 13.14 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.16 126.66 53.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.922 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -62.18 -39.63 93.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.638 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.82 132.75 10.06 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.22 132.08 10.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.758 0.313 . . . . 0.0 110.378 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 62.3 m -130.82 148.04 52.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.27 63.94 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.611 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.5 113.74 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.578 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -117.09 130.68 56.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.432 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.59 -162.26 0.91 Allowed Glycine 0 CA--C 1.524 0.637 0 O-C-N 124.017 0.823 . . . . 0.0 111.131 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.89 -61.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.592 0.234 . . . . 0.0 111.035 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.22 -97.03 0.72 Allowed Glycine 0 N--CA 1.464 0.537 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.08 108.88 16.26 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -151.28 137.38 18.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 0.0 110.787 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 72.9 m -108.78 133.75 52.42 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.668 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 71' ' ' THR . . . . . 0.422 ' C ' ' OG1' ' F' ' 71' ' ' THR . 30.2 p -73.5 166.26 45.59 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.585 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . 0.403 ' N ' ' OG1' ' F' ' 71' ' ' THR . 42.4 Cg_endo -91.91 108.03 0.25 Allowed 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 121.869 1.713 . . . . 0.0 113.899 -176.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -57.63 140.04 52.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.297 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.82 87.31 1.14 Allowed Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 62.1 80.42 0.23 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.453 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.62 -90.27 0.01 OUTLIER Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 42.1 p -136.93 132.63 34.71 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.018 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.4 99.03 2.87 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.742 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.26 105.84 0.55 Allowed Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.87 97.31 0.21 Allowed Glycine 0 C--N 1.335 0.503 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -82.12 -73.4 0.39 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.07 0.462 . . . . 0.0 110.462 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.14 -58.13 2.38 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.3 137.58 9.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.67 0.272 . . . . 0.0 110.615 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 32.9 t -139.5 97.22 3.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.72 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.12 102.46 8.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.0 110.64 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.76 163.39 35.11 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.007 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 92.8 p -136.64 150.44 48.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.278 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.8 1.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.109 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -169.88 158.51 7.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.469 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -162.83 174.12 12.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.851 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.28 79.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.455 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.74 49.46 0.11 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.606 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -96.32 112.82 24.43 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 122.856 -0.203 . . . . 0.0 111.136 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.07 126.6 36.26 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.799 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.37 108.05 11.78 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.527 0.517 . . . . 0.0 110.089 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.2 25.93 10.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.831 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.68 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.04 160.32 32.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -127.09 129.28 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.625 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.24 146.16 49.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.8 -53.36 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.183 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -135.07 130.61 35.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.801 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 108.98 78.48 1.06 Allowed Glycine 0 C--O 1.222 -0.615 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.925 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' F' ' 49' ' ' GLY . 10.4 m-85 29.05 71.18 0.06 Allowed 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.16 96.17 0.53 Allowed Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.65 83.91 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.86 0.362 . . . . 0.0 110.192 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -160.85 144.11 13.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.604 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.89 125.81 16.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.592 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -63.23 -46.91 84.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.481 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.33 42.06 13.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 77.5 p -109.3 126.64 53.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -62.09 -39.67 93.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.731 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.73 132.78 10.09 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.27 132.12 10.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.32 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -130.84 147.97 52.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.626 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.57 63.46 2.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.679 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.19 113.47 25.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.593 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.9 130.83 56.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.427 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.02 -161.97 1.02 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.94 -61.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.621 0.248 . . . . 0.0 110.908 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.42 -96.87 0.71 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.14 109.13 16.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -151.46 136.7 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.786 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 74.7 m -108.05 133.03 52.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.028 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 71' ' ' THR . . . . . 0.422 ' OG1' ' C ' ' E' ' 71' ' ' THR . 30.0 p -73.21 166.13 46.46 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . 0.405 ' N ' ' OG1' ' G' ' 71' ' ' THR . 38.9 Cg_endo -90.75 104.01 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 123.017 2.478 . . . . 0.0 114.978 -175.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.08 139.48 41.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.561 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.07 87.58 1.16 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.4 81.94 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.874 0.369 . . . . 0.0 111.154 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.46 -88.37 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 38.1 p -138.03 132.2 31.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.213 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.85 96.13 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.063 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.93 102.93 0.14 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.65 94.02 0.09 OUTLIER Glycine 0 CA--C 1.518 0.274 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -81.0 -72.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.467 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.66 -58.17 2.31 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 47.8 t -160.43 137.42 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.662 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.59 98.19 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.324 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.81 103.36 9.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.494 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.92 163.96 33.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.922 0.391 . . . . 0.0 111.176 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 93.0 p -136.77 150.54 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.307 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.81 176.72 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -170.43 158.27 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.469 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.28 173.71 12.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.789 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.43 80.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.26 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.2 49.97 0.1 Allowed Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.633 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.04 113.14 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.735 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.17 126.48 35.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.748 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.48 107.88 11.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.15 25.95 10.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.676 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.86 0.362 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.08 160.37 32.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.17 129.24 47.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -125.24 146.29 49.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.413 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.88 -53.34 2.07 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -135.03 130.86 36.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.845 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 108.81 78.13 1.04 Allowed Glycine 0 C--O 1.223 -0.585 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.033 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' G' ' 49' ' ' GLY . 10.5 m-85 29.45 71.06 0.07 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.1 96.23 0.53 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.61 83.86 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.39 . . . . 0.0 110.258 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.76 144.14 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.92 125.82 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -63.27 -46.91 84.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.461 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m 47.3 42.04 13.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.22 126.69 53.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -62.15 -39.61 93.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.729 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.76 132.77 10.08 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -155.3 132.07 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.726 0.298 . . . . 0.0 110.411 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 62.2 m -130.73 147.99 52.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.56 63.42 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.659 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.11 113.4 25.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.86 130.72 56.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -162.09 0.99 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -61.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.609 0.242 . . . . 0.0 110.927 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.43 -96.84 0.71 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.17 108.96 16.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.752 0.31 . . . . 0.0 110.258 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -151.47 136.71 17.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.758 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 74.3 m -108.13 133.09 52.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 71' ' ' THR . . . . . 0.419 ' OG1' ' C ' ' F' ' 71' ' ' THR . 30.2 p -73.29 166.25 45.51 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.484 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . 0.403 ' N ' ' OG1' ' H' ' 71' ' ' THR . 38.5 Cg_endo -90.75 103.92 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 123.039 2.493 . . . . 0.0 115.001 -175.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.0 139.53 40.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.569 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.02 87.38 1.16 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.3 82.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 111.179 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.56 -88.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 40.3 p -138.21 132.23 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.174 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.86 96.19 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.94 103.01 0.14 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.7 94.1 0.09 OUTLIER Glycine 0 CA--C 1.519 0.326 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -81.19 -72.1 0.44 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.442 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.63 -58.24 2.3 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -160.41 137.47 9.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.627 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.57 98.11 3.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.331 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.77 103.36 9.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.91 163.95 33.53 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.266 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.74 150.56 48.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.236 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.74 1.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.101 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -170.39 158.3 6.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.484 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.29 173.63 13.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.827 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.5 80.69 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.202 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.34 50.14 0.1 Allowed Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.551 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.2 113.15 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.849 0.357 . . . . 0.0 110.715 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.19 126.47 35.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.764 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.55 107.9 11.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.388 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.28 25.78 10.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.723 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.62 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.808 0.337 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 87.1 p -73.13 160.37 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.14 129.2 47.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.24 146.24 49.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.422 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.88 -53.26 2.07 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.202 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -135.07 130.8 36.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.763 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 108.9 78.07 1.03 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.038 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' H' ' 49' ' ' GLY . 10.5 m-85 29.36 71.09 0.06 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.09 96.28 0.53 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.58 83.96 0.15 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 110.265 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.84 144.08 13.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.593 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.5 t -142.86 125.84 16.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.563 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.18 -46.96 84.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.503 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 58.4 m 47.35 41.99 13.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.794 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.21 126.7 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.906 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -62.22 -39.63 93.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.658 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.79 10.09 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -155.36 132.06 10.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.307 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 62.1 m -130.76 147.99 52.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.61 63.45 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.24 113.43 25.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.652 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.85 130.79 56.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.93 -162.02 1.0 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.93 -61.85 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.568 0.223 . . . . 0.0 110.92 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.48 -96.88 0.71 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.15 108.97 16.33 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -151.42 136.84 17.7 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.779 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 74.2 m -108.19 133.14 52.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 71' ' ' THR . . . . . 0.417 ' OG1' ' C ' ' G' ' 71' ' ' THR . 30.1 p -73.27 166.17 46.19 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.534 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -90.68 103.95 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.997 2.465 . . . . 0.0 114.95 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.01 139.6 40.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.607 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.99 87.48 1.15 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.38 82.14 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.54 -88.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 39.4 p -138.1 132.2 31.69 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.224 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.88 96.12 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.057 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.84 103.01 0.14 Allowed Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.72 94.07 0.09 OUTLIER Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.18 -72.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.69 -58.12 2.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.43 137.47 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.796 0.332 . . . . 0.0 110.647 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 33.0 t -139.62 98.16 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.362 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.83 103.25 8.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.8 163.95 33.41 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.263 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.8 150.51 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.217 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.85 176.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.104 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 93.8 p -170.4 158.28 6.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.464 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 58.6 m -163.28 173.59 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.51 80.96 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.182 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.46 50.03 0.1 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.582 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.05 113.14 24.92 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.719 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.15 126.5 35.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.753 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 107.88 11.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.2 25.95 10.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.708 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.574 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.834 0.35 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 86.7 p -72.99 160.36 32.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -127.2 129.12 47.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.66 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -125.4 145.4 50.07 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.513 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -120.36 -53.85 2.11 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.162 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -134.45 131.07 37.68 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.796 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 108.81 78.19 1.04 Allowed Glycine 0 C--O 1.223 -0.569 0 C-N-CA 120.355 -0.926 . . . . 0.0 111.938 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' I' ' 49' ' ' GLY . 10.5 m-85 29.09 72.82 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.42 96.18 0.63 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 68.52 83.56 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.886 0.374 . . . . 0.0 110.277 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -160.41 144.17 13.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.573 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.95 125.83 16.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.502 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.18 -46.98 84.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 58.3 m 47.45 41.89 13.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.791 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.19 126.76 53.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.393 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -62.26 -39.57 93.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.643 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.71 10.04 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.29 132.08 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.312 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 61.4 m -130.73 148.0 52.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.631 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.55 63.43 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.668 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.18 113.4 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.66 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -116.71 130.81 56.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.01 -161.94 1.01 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.07 -61.65 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.887 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.34 -96.95 0.72 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 46.2 p -117.05 108.79 16.17 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -151.23 136.81 17.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.58 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 74.8 m -108.02 133.08 52.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 71' ' ' THR . . . . . 0.404 ' OG1' ' C ' ' H' ' 71' ' ' THR . 30.8 p -72.47 167.29 34.2 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -91.09 104.76 0.27 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.978 2.452 . . . . 0.0 114.813 -177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -55.66 139.96 42.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.565 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.17 87.49 1.17 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.57 82.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.287 -0.165 . . . . 0.0 110.961 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.58 -88.1 0.01 OUTLIER Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 39.2 p -137.98 132.17 31.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.81 96.18 2.42 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.027 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.14 103.25 0.16 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.62 94.66 0.09 OUTLIER Glycine 0 CA--C 1.521 0.412 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -82.51 -71.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.264 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.64 -58.09 2.33 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 48.1 t -160.43 137.54 9.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.713 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.66 98.1 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.385 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.79 103.27 8.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.42 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.84 163.6 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.2 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 92.6 p -136.43 150.42 48.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.273 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.88 176.35 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.087 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -169.98 158.45 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.517 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 58.6 m -163.38 173.12 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.905 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.18 82.85 0.08 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.69 50.04 0.09 OUTLIER Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.608 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -98.08 113.07 24.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.27 126.46 35.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.5 107.93 11.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.447 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.21 25.91 10.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.671 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.626 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.744 0.307 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.6 p -69.8 157.37 37.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.294 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.2 m -129.16 122.63 30.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.817 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -150.59 125.72 9.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.6 m -50.1 -60.9 2.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.26 0.552 . . . . 0.0 110.016 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.402 ' OG ' ' CZ ' ' A' ' 66' ' ' TYR . 10.1 t -131.55 -95.82 0.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.091 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.31 51.74 20.19 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.659 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 48.96 -168.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.455 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.56 -53.0 1.36 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -164.06 -81.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.657 0.265 . . . . 0.0 110.438 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -130.19 126.91 38.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.894 0.378 . . . . 0.0 110.682 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.1 p -103.26 148.81 25.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.245 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -121.21 138.82 54.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.9 m -155.56 141.27 17.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.473 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.7 p -156.65 148.89 23.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.7 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.27 177.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.904 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.35 153.72 25.29 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.88 -40.18 92.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.7 m -91.8 178.75 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.558 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.88 -177.65 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.638 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -58.29 119.69 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.697 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.5 m -126.93 139.21 53.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.438 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.1 -161.86 0.1 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' OG ' ' A' ' 48' ' ' SER . 2.0 m-85 -49.31 -49.38 44.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 0.0 110.888 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.61 -99.85 1.35 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.02 110.91 19.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 0.0 110.219 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.45 7.95 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.802 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.8 m -125.4 120.87 32.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.947 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.99 171.75 9.84 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.767 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -42.96 169.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 123.187 2.591 . . . . 0.0 113.584 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -98.97 -158.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.498 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.68 91.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.412 ' CZ ' ' OG ' ' A' ' 84' ' ' SER . 3.4 t80 -177.63 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.727 0.298 . . . . 0.0 110.889 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.05 -173.07 3.05 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.61 86.85 4.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.727 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.0 p -67.42 158.36 31.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.004 0.43 . . . . 0.0 109.992 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.71 -158.61 4.4 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.74 -80.3 1.42 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -54.08 174.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.853 0.358 . . . . 0.0 110.714 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.69 -36.89 3.29 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 t 73.18 131.11 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.85 0.357 . . . . 0.0 110.687 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.412 ' OG ' ' CZ ' ' A' ' 75' ' ' TYR . 44.1 t -117.39 122.57 44.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.475 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.87 104.59 7.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.436 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.01 174.3 10.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.104 0.478 . . . . 0.0 111.222 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.46 138.22 23.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.924 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.92 -166.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.558 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -165.32 169.61 15.62 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.334 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.67 118.3 22.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.061 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -130.81 101.61 5.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.754 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.64 53.56 0.63 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.49 110.79 23.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.66 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.44 132.44 27.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.834 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.6 m -127.65 128.03 44.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.298 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.3 79.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.593 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.816 0.341 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -69.9 157.48 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.317 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.3 m -129.26 122.81 30.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -150.75 125.76 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.471 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.37 -61.25 2.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.029 0.443 . . . . 0.0 109.872 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.404 ' OG ' ' CZ ' ' B' ' 66' ' ' TYR . 9.6 t -131.31 -95.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.03 53.86 13.54 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.475 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.82 -168.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 0.0 110.748 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.91 -53.01 1.32 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.21 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.605 0.24 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 69.6 m -130.0 127.03 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 98.3 p -103.26 148.74 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.286 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -121.21 138.8 54.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 70.0 m -155.53 141.33 18.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.517 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 94.1 p -156.69 148.81 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.709 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.35 177.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.37 153.23 24.47 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.41 -40.15 89.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.571 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -91.79 178.94 5.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.49 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -152.07 -177.71 6.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.626 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.24 119.68 7.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.723 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 91.7 m -126.8 139.34 53.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.429 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.3 -161.77 0.11 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . 0.404 ' CZ ' ' OG ' ' B' ' 48' ' ' SER . 2.0 m-85 -49.5 -49.4 45.91 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.674 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.66 -100.06 1.37 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.55 110.85 19.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 110.175 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.53 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.906 -0.718 . . . . 0.0 111.722 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -125.44 120.84 32.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.857 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.66 171.93 9.65 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.596 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . 0.409 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 69.1 Cg_exo -42.72 170.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 123.258 2.638 . . . . 0.0 113.404 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -100.86 -158.8 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.0 91.83 0.01 OUTLIER Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.412 ' CZ ' ' OG ' ' B' ' 84' ' ' SER . 3.4 t80 -176.99 -41.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.772 0.32 . . . . 0.0 110.725 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.82 -173.05 3.75 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -95.54 86.81 4.55 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.61 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 43.4 p -66.99 158.63 30.44 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.025 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.18 -158.27 4.65 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.6 -80.1 1.41 Allowed Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -54.37 174.07 0.07 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.93 0.395 . . . . 0.0 110.898 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.17 -37.47 3.27 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.85 130.93 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.852 0.358 . . . . 0.0 110.628 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.412 ' OG ' ' CZ ' ' B' ' 75' ' ' TYR . 44.3 t -117.18 122.68 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.85 103.37 6.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.646 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.77 174.54 10.47 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.414 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.41 138.06 23.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.889 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.65 -166.22 0.24 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.702 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -165.36 169.61 15.56 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.509 -0.477 . . . . 0.0 111.28 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.59 118.18 22.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.067 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -131.14 102.06 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.33 54.24 0.62 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -96.64 110.67 23.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.802 0.334 . . . . 0.0 110.674 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.43 132.49 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 66.5 m -127.62 128.13 45.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.361 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.2 79.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.565 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.717 0.294 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 82.7 p -69.81 157.42 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.313 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -129.32 122.81 30.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.802 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -150.71 125.82 9.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.481 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.43 -61.31 2.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 109.888 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' SER . . . . . 0.404 ' OG ' ' CZ ' ' C' ' 66' ' ' TYR . 9.6 t -131.28 -95.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.12 53.81 13.98 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.426 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.86 -168.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.853 0.358 . . . . 0.0 110.819 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.91 -52.98 1.33 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.29 -81.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.618 0.247 . . . . 0.0 110.437 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 70.0 m -130.02 126.93 38.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.954 0.407 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.16 148.72 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.334 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -121.19 138.87 54.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.91 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 69.7 m -155.61 141.33 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.48 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 93.8 p -156.72 148.78 22.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.756 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.26 177.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.27 153.21 24.28 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.33 -40.24 89.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.563 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 66.3 m -91.79 178.88 5.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -152.01 -177.63 6.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.638 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.35 119.77 7.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -126.85 139.49 53.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.431 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.39 -161.7 0.11 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . 0.404 ' CZ ' ' OG ' ' C' ' 48' ' ' SER . 2.0 m-85 -49.53 -49.43 46.09 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.67 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.7 -100.05 1.36 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.59 110.87 19.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.27 171.55 7.86 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.813 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 71.0 m -125.39 120.75 31.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.875 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.6 171.9 9.73 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.619 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' D' ' 72' ' ' PRO . 69.2 Cg_exo -42.63 170.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 123.299 2.666 . . . . 0.0 113.398 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.03 -158.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.92 91.89 0.01 OUTLIER Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . 0.411 ' CZ ' ' OG ' ' C' ' 84' ' ' SER . 3.3 t80 -176.96 -41.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.843 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.92 -173.11 3.82 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.58 86.73 4.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.666 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 43.5 p -66.97 158.75 30.09 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.18 -158.26 4.64 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.67 -80.07 1.41 Allowed Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -54.47 174.02 0.07 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.761 0.315 . . . . 0.0 110.994 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.19 -37.48 3.27 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.97 130.96 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.588 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.411 ' OG ' ' CZ ' ' C' ' 75' ' ' TYR . 44.4 t -117.29 122.52 44.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.72 103.42 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.705 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.8 174.59 10.42 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.4 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.34 138.05 23.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.993 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.68 -166.23 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.68 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.6 p -165.32 169.48 15.77 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.346 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.44 118.22 22.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.114 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -131.18 102.16 5.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.13 54.42 0.62 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.72 110.76 23.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.45 132.47 27.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 66.1 m -127.63 128.05 44.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.23 79.78 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.633 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.579 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.829 0.347 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 82.7 p -69.94 157.61 37.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.409 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 98.3 m -129.5 122.51 29.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.097 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -150.45 125.64 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.472 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 19.4 m -50.43 -60.95 2.49 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 48' ' ' SER . . . . . 0.405 ' OG ' ' CZ ' ' D' ' 66' ' ' TYR . 9.7 t -131.45 -95.62 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.12 53.93 13.67 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.509 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.82 -168.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.649 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.95 -52.88 1.33 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.3 -81.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -129.97 126.94 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.17 148.79 25.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.343 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -121.26 138.82 54.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.874 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 69.6 m -155.53 141.33 18.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.505 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 93.5 p -156.69 148.82 23.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.736 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.22 177.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.45 153.17 24.5 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.3 -40.26 89.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 110.511 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 66.2 m -91.94 178.77 5.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.489 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.85 -177.6 6.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.39 119.7 7.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.622 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.88 139.33 53.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.53 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -161.68 0.1 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . 0.405 ' CZ ' ' OG ' ' D' ' 48' ' ' SER . 2.1 m-85 -49.51 -49.31 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.729 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.49 -100.02 1.38 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.55 110.67 19.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.16 171.59 7.95 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.723 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 71.2 m -125.46 120.91 32.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.869 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.79 171.97 9.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.531 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 69.7 Cg_exo -42.69 170.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 123.203 2.602 . . . . 0.0 113.432 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.04 -158.78 0.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.98 91.73 0.01 OUTLIER Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . 0.412 ' CZ ' ' OG ' ' D' ' 84' ' ' SER . 3.3 t80 -176.84 -41.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 110.784 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.89 -173.16 3.78 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -95.52 86.82 4.56 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.64 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 43.3 p -66.99 158.64 30.43 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.2 4.65 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.55 -80.08 1.41 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -54.39 174.25 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.951 0.405 . . . . 0.0 110.915 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.96 -37.51 3.25 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.96 131.0 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.621 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 84' ' ' SER . . . . . 0.412 ' OG ' ' CZ ' ' D' ' 75' ' ' TYR . 44.2 t -117.21 122.6 44.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.541 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.78 103.35 6.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.773 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.73 174.43 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.416 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.22 138.07 23.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.956 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.66 -166.33 0.25 Allowed 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.672 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -165.19 169.52 15.95 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.227 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.48 118.21 22.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.107 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -131.36 101.99 5.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.928 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.33 54.36 0.62 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.67 110.67 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.38 132.45 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 65.7 m -127.57 127.97 44.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.414 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.39 79.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.565 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.79 0.329 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 82.9 p -69.94 157.47 37.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.386 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -129.26 122.42 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -150.06 126.7 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.632 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -52.6 -60.03 3.74 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.216 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 48' ' ' SER . . . . . 0.402 ' OG ' ' CZ ' ' E' ' 66' ' ' TYR . 9.4 t -130.46 -95.01 0.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.722 177.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 50.59 49.37 40.16 Favored Glycine 0 C--N 1.343 0.931 0 C-N-CA 119.72 -1.229 . . . . 0.0 112.059 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.28 -168.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.377 0.608 . . . . 0.0 110.247 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.54 -52.82 1.28 Allowed Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -163.9 -83.99 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -129.21 127.29 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.314 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -103.86 148.5 26.07 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.967 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.03 138.87 53.96 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.857 0.361 . . . . 0.0 110.984 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 69.2 m -155.53 141.23 17.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.652 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 94.7 p -156.69 148.82 23.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.72 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.32 177.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.36 153.24 24.48 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.45 -40.18 90.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.798 0.332 . . . . 0.0 110.492 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.86 178.87 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.9 -177.53 6.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.681 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.24 119.19 6.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 92.0 m -126.53 139.25 53.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.88 -162.23 0.1 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' OG ' ' E' ' 48' ' ' SER . 2.0 m-85 -48.87 -50.32 35.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.669 0.271 . . . . 0.0 110.309 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.12 -100.16 1.34 Allowed Glycine 0 N--CA 1.463 0.466 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.59 110.17 18.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.7 0.286 . . . . 0.0 110.267 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -168.41 171.81 8.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.803 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 70.5 m -125.7 121.77 34.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.795 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.56 171.9 9.33 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.554 1.159 . . . . 0.0 110.162 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 70.7 Cg_exo -43.12 171.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.501 1.963 0 C-N-CA 123.151 2.568 . . . . 0.0 113.286 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -100.83 -159.4 0.73 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.816 -1.083 . . . . 0.0 108.237 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.24 90.71 0.01 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . 0.412 ' CZ ' ' OG ' ' E' ' 84' ' ' SER . 3.3 t80 -176.61 -40.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.623 0.249 . . . . 0.0 111.157 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.53 -173.25 3.41 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -94.97 86.01 4.52 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.158 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 44.7 p -66.59 158.5 29.67 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -157.66 4.34 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.86 -80.43 1.42 Allowed Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -54.11 174.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.669 0.271 . . . . 0.0 111.537 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.06 -38.02 3.17 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.705 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t 74.04 131.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.026 0.441 . . . . 0.0 110.307 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 84' ' ' SER . . . . . 0.412 ' OG ' ' CZ ' ' E' ' 75' ' ' TYR . 43.9 t -117.8 121.88 41.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.407 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.07 102.34 6.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.609 0.719 . . . . 0.0 111.284 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.7 173.67 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.261 -0.899 . . . . 0.0 110.981 -177.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.24 138.01 23.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.835 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.47 -166.45 0.26 Allowed 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 121.872 0.844 . . . . 0.0 110.866 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p -164.13 171.01 15.64 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.837 -1.165 . . . . 0.0 111.458 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.87 117.69 21.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.598 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -130.28 100.59 5.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.261 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 109.11 53.99 0.59 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -96.11 110.64 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.57 0.224 . . . . 0.0 110.75 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.42 132.63 28.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.818 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 66.1 m -127.56 127.94 44.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.23 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.41 79.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.638 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.579 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.809 0.337 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 82.9 p -69.85 157.44 37.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -129.2 123.0 30.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -150.83 125.92 9.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.533 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 19.9 m -50.33 -61.54 2.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.059 0.457 . . . . 0.0 109.847 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 48' ' ' SER . . . . . 0.404 ' OG ' ' CZ ' ' F' ' 66' ' ' TYR . 9.5 t -131.15 -95.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.17 53.87 13.99 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.467 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.68 -168.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.94 -53.08 1.31 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.23 -81.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.634 0.254 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -130.0 126.87 38.79 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 98.7 p -103.2 148.77 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.312 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.19 138.78 54.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.89 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 69.7 m -155.54 141.29 18.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.52 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 94.2 p -156.68 148.85 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.705 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.19 177.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.29 153.24 24.36 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.36 -40.28 90.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.475 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 66.5 m -91.87 178.92 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.514 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.94 -177.6 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.732 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.45 119.75 7.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.645 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.75 139.56 53.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.3 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.48 -161.57 0.11 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . 0.404 ' CZ ' ' OG ' ' F' ' 48' ' ' SER . 2.1 m-85 -49.42 -49.67 44.0 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.726 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.84 -100.04 1.35 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.52 110.95 20.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.27 171.73 7.74 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.934 -0.707 . . . . 0.0 111.764 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 70.8 m -125.49 120.68 31.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.949 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.55 172.01 9.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.628 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 67.8 Cg_exo -42.77 170.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 123.301 2.667 . . . . 0.0 113.346 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -101.04 -158.88 0.7 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.94 91.82 0.01 OUTLIER Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . 0.412 ' CZ ' ' OG ' ' F' ' 84' ' ' SER . 3.4 t80 -176.85 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.715 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.95 -173.07 3.86 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -95.64 86.8 4.52 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.704 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 43.5 p -66.96 158.73 30.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.04 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.11 -158.23 4.56 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.69 -80.09 1.41 Allowed Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -54.5 173.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.947 0.403 . . . . 0.0 110.879 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.22 -37.37 3.28 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.85 130.89 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.699 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 84' ' ' SER . . . . . 0.412 ' OG ' ' CZ ' ' F' ' 75' ' ' TYR . 44.4 t -117.19 122.69 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.86 103.3 6.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.706 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.64 174.67 10.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.448 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.39 137.98 23.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.908 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.52 -166.28 0.25 Allowed 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.746 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -165.4 169.5 15.63 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.305 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.57 118.12 22.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.157 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -130.99 102.14 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.668 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.17 54.36 0.62 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.68 110.7 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.641 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.48 132.47 27.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.755 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 66.2 m -127.58 128.03 44.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.436 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.38 79.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.656 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.579 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.78 0.324 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -69.91 157.38 37.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.34 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 96.1 m -129.15 122.77 30.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -150.66 125.8 9.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.481 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.49 -61.29 2.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 109.869 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 48' ' ' SER . . . . . 0.402 ' OG ' ' CZ ' ' G' ' 66' ' ' TYR . 9.6 t -131.26 -95.56 0.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.13 53.87 13.85 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.452 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.81 -168.37 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.825 0.345 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.15 -52.98 1.3 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.22 -81.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 110.442 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -129.91 127.04 39.34 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -103.26 148.69 25.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.321 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.11 138.79 54.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 69.5 m -155.48 141.29 18.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.538 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -156.64 148.89 23.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.705 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.2 177.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.976 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.3 153.26 24.41 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.41 -40.13 89.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.517 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.94 178.86 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.511 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.9 -177.55 6.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.703 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.48 119.71 7.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.78 139.42 53.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.392 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -161.76 0.11 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' OG ' ' G' ' 48' ' ' SER . 2.0 m-85 -49.38 -49.48 44.38 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.705 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.66 -100.14 1.38 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.53 110.86 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.693 0.282 . . . . 0.0 110.242 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.63 7.84 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.782 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 71.2 m -125.51 120.72 31.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.869 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.58 172.01 9.53 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.562 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . 0.415 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 68.6 Cg_exo -42.8 170.8 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 123.322 2.682 . . . . 0.0 113.319 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -100.96 -158.88 0.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.82 91.75 0.01 OUTLIER Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . 0.411 ' CZ ' ' OG ' ' G' ' 84' ' ' SER . 3.3 t80 -176.89 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.806 0.336 . . . . 0.0 110.804 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.93 -173.09 3.84 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.5 86.72 4.55 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.673 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 43.5 p -66.95 158.72 30.11 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.25 4.68 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.65 -80.04 1.41 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -54.53 174.12 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.22 -37.65 3.26 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 74.0 130.95 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.815 0.341 . . . . 0.0 110.639 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 84' ' ' SER . . . . . 0.411 ' OG ' ' CZ ' ' G' ' 75' ' ' TYR . 44.4 t -117.26 122.57 44.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.74 103.27 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.67 174.62 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.115 0.483 . . . . 0.0 111.398 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.35 137.99 23.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.908 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.61 -166.27 0.25 Allowed 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.666 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -165.31 169.5 15.77 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.33 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.54 118.19 22.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.15 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -131.14 102.11 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.808 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.17 54.54 0.62 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.85 110.69 23.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.6 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -140.45 132.54 27.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.751 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 66.0 m -127.63 128.01 44.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.398 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.38 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.674 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.615 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.823 0.344 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -69.86 157.42 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.368 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 97.4 m -129.23 122.72 30.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -150.59 125.82 10.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.518 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.48 -61.25 2.3 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.562 -0.455 . . . . 0.0 109.858 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 48' ' ' SER . . . . . 0.401 ' OG ' ' CZ ' ' H' ' 66' ' ' TYR . 9.4 t -131.3 -95.53 0.36 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.02 53.79 13.68 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.51 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.91 -168.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.947 0.403 . . . . 0.0 110.721 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.1 -52.93 1.31 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -164.28 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.607 0.241 . . . . 0.0 110.396 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -129.99 127.01 39.13 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.23 148.76 25.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.257 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -121.21 138.74 54.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 69.5 m -155.5 141.33 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.548 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -156.62 148.83 23.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.712 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.28 177.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.27 153.23 24.31 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.35 -40.28 90.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.496 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.8 178.81 5.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.88 -177.57 6.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.4 119.66 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.73 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 92.8 m -126.77 139.57 53.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.371 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.43 -161.52 0.1 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . 0.401 ' CZ ' ' OG ' ' H' ' 48' ' ' SER . 2.0 m-85 -49.67 -49.41 47.58 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.626 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.7 -100.17 1.38 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.48 110.93 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.3 171.65 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.717 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 70.9 m -125.48 120.84 32.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.834 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.68 171.98 9.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.552 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . 0.413 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 69.0 Cg_exo -42.68 170.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 123.231 2.621 . . . . 0.0 113.394 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.03 -158.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.97 91.85 0.01 OUTLIER Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . 0.411 ' CZ ' ' OG ' ' H' ' 84' ' ' SER . 3.4 t80 -176.85 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.683 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.1 -173.09 4.02 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.63 86.72 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.627 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 43.5 p -66.85 158.81 29.61 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.3 -158.23 4.75 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.57 -80.19 1.41 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -54.39 174.06 0.07 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.17 -37.5 3.27 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t 73.84 130.98 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.88 0.372 . . . . 0.0 110.643 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 84' ' ' SER . . . . . 0.411 ' OG ' ' CZ ' ' H' ' 75' ' ' TYR . 44.4 t -117.28 122.63 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.547 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.83 103.35 6.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.678 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.75 174.51 10.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.073 0.463 . . . . 0.0 111.352 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -147.25 138.0 23.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.987 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.67 -166.41 0.25 Allowed 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.685 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -165.19 169.53 15.93 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.272 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.42 118.15 22.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.156 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -131.2 102.17 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.15 54.57 0.62 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.79 110.6 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.651 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.33 132.5 28.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 66.4 m -127.66 128.07 44.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.389 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.35 79.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.613 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.861 0.363 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -69.82 157.39 37.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.341 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 99.8 m -129.39 122.8 30.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.122 0.487 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -150.5 126.73 10.62 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.474 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 19.2 m -51.7 -61.41 2.27 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 48' ' ' SER . . . . . 0.4 ' OG ' ' CZ ' ' I' ' 66' ' ' TYR . 8.8 t -130.9 -94.58 0.38 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.23 53.99 10.63 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.592 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.08 -167.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 0.0 110.697 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.73 -53.33 1.21 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -163.9 -81.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.684 0.278 . . . . 0.0 110.427 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 70.1 m -129.81 127.45 40.34 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.775 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -103.71 148.67 25.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.221 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -121.22 138.83 54.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m -155.51 141.32 18.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.489 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 94.4 p -156.66 148.83 23.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.635 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 54.17 177.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.915 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.22 153.16 24.11 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.42 -40.01 89.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -92.04 178.54 5.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.69 -177.59 6.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.4 119.73 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 92.8 m -126.61 139.71 52.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.46 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.67 -161.39 0.11 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . 0.4 ' CZ ' ' OG ' ' I' ' 48' ' ' SER . 2.1 m-85 -49.78 -49.49 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.525 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.91 -100.35 1.38 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.397 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.56 110.84 19.81 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.29 171.56 7.82 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.525 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -125.19 121.38 33.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.784 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.99 171.72 9.9 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.439 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.22 171.52 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 123.14 2.56 . . . . 0.0 113.224 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.06 -158.56 0.68 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.0 91.96 0.01 OUTLIER Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . 0.408 ' CZ ' ' OG ' ' I' ' 84' ' ' SER . 3.4 t80 -176.4 -43.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.91 0.386 . . . . 0.0 110.567 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.98 -172.78 5.28 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -95.91 86.53 4.36 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 44.1 p -66.53 159.22 27.78 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.63 -158.09 4.99 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.56 -79.64 1.4 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -55.05 173.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 111.043 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.38 -37.3 3.3 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.6 t 73.62 131.11 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.495 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 84' ' ' SER . . . . . 0.408 ' OG ' ' CZ ' ' I' ' 75' ' ' TYR . 44.4 t -117.39 122.68 44.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.9 103.4 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.441 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.74 174.32 10.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.07 0.462 . . . . 0.0 111.267 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.05 137.91 23.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.938 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -174.88 -167.78 0.31 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.697 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -163.9 169.84 17.58 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.445 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.39 117.98 22.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.23 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -131.48 102.49 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.251 0.548 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 107.91 55.02 0.62 Allowed Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.181 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -96.73 110.64 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.676 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.59 132.52 27.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.811 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 66.3 m -127.57 127.99 44.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.402 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.33 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.623 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.528 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.731 0.3 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.76 156.97 23.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.984 0.421 . . . . 0.0 111.087 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -136.95 130.9 32.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.354 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -149.69 128.42 12.45 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.406 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.1 m -52.06 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.391 -0.523 . . . . 0.0 109.999 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.0 p -130.81 -98.38 0.33 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.183 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.43 53.78 6.74 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.66 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 51.32 -170.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.233 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.19 -54.61 1.09 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.18 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.853 0.359 . . . . 0.0 110.625 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.56 152.81 25.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.381 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -135.97 133.46 37.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.454 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.65 151.03 39.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.688 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.79 -162.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.566 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -73.23 170.38 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.71 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.71 19.13 11.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.68 -90.62 0.09 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.68 135.2 48.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.9 p -158.3 179.77 8.84 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.336 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -124.25 99.48 6.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.505 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -88.83 107.53 19.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.319 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.5 m -124.05 140.94 52.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.147 0.499 . . . . 0.0 111.248 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.8 -158.72 0.05 OUTLIER Glycine 0 CA--C 1.526 0.764 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -83.91 43.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.4 -108.71 0.21 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.8 p -134.45 125.05 26.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -147.88 164.45 33.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.216 0.531 . . . . 0.0 111.382 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -122.99 115.13 21.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.689 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.45 161.18 40.43 Favored Pre-proline 0 C--N 1.326 -0.418 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.074 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -28.62 105.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 124.214 3.276 . . . . 0.0 114.84 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -62.64 111.95 2.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.731 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.73 104.61 0.47 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 69.07 94.48 0.07 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.226 0.536 . . . . 0.0 111.263 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.24 -90.21 0.49 Allowed Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.216 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -100.55 149.74 23.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.9 0.381 . . . . 0.0 111.148 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.423 ' OG1' ' CZ ' ' B' ' 75' ' ' TYR . 45.2 m -111.37 111.2 22.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.21 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.81 101.69 0.85 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.18 100.71 0.2 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -71.43 132.5 44.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.885 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.17 -45.04 0.75 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.18 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.838 0.351 . . . . 0.0 110.39 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.3 t -104.71 -62.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.224 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.8 91.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.76 139.68 25.3 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.3 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.5 p -141.03 147.18 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.328 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.23 -177.76 1.91 Allowed 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.057 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -144.51 160.32 41.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.668 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.6 t -138.44 134.11 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -146.78 90.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.975 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.24 60.44 0.2 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.701 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -97.6 104.85 16.91 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.82 141.38 38.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.109 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.4 130.37 21.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.52 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.7 t 54.77 72.93 0.43 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.545 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.746 0.308 . . . . 0.0 110.691 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.81 157.01 23.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.402 . . . . 0.0 111.205 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -136.94 130.93 32.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.417 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.7 128.37 12.41 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.759 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 31.7 m -52.29 -63.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.892 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.6 p -130.56 -98.35 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.09 55.62 5.63 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.41 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.46 -170.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.218 0.509 . . . . 0.0 110.548 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.26 -54.61 1.08 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.16 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 110.615 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 97.1 p -110.61 152.94 25.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.376 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -136.0 133.37 37.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.473 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.68 151.0 39.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.83 -162.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.481 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.21 170.62 14.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.676 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.97 19.15 11.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.78 -90.39 0.09 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.78 135.2 48.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 89.5 p -158.25 -179.79 8.43 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.333 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.62 99.48 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.471 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.93 107.58 19.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -123.85 141.12 52.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.18 -158.46 0.05 OUTLIER Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.07 44.59 1.02 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 122.804 -0.233 . . . . 0.0 111.427 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.7 -108.62 0.18 Allowed Glycine 0 C--N 1.337 0.597 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.41 125.08 26.78 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.84 164.85 32.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.379 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -123.3 115.16 21.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.681 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.48 161.04 40.73 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.011 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -28.6 103.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 124.482 3.455 . . . . 0.0 115.054 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -60.28 112.1 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.323 0.389 . . . . 0.0 110.142 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.51 104.84 0.45 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.423 ' CZ ' ' OG1' ' A' ' 78' ' ' THR . 1.0 OUTLIER 69.33 94.36 0.07 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 111.184 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.16 -90.17 0.49 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -100.35 149.87 23.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.873 0.368 . . . . 0.0 111.079 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.425 ' OG1' ' CZ ' ' C' ' 75' ' ' TYR . 45.6 m -111.25 111.05 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.272 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.57 101.69 0.86 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.2 100.92 0.2 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.47 132.62 45.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.017 0.436 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.17 -45.0 0.75 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.45 132.18 0.02 OUTLIER 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.709 0.29 . . . . 0.0 110.354 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.78 -63.03 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.143 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 50.0 91.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.7 139.75 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.335 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 90.8 p -140.96 147.22 38.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.412 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.2 -177.71 1.91 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.123 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 66.8 m -144.53 160.29 41.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.666 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.4 134.0 33.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -147.06 90.8 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.973 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.09 60.91 0.2 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.684 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.58 104.74 16.8 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.318 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.83 141.62 38.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.116 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.74 130.35 21.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.462 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 40.8 t 54.87 72.94 0.44 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.565 179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.763 0.316 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 85.0 p -82.88 156.97 23.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.0 0.429 . . . . 0.0 111.2 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -136.94 130.96 32.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.406 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.72 128.45 12.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.762 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 31.9 m -52.27 -63.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.85 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 35.5 p -130.5 -98.26 0.34 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.15 55.44 5.75 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.464 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.69 -170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.489 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.29 -54.63 1.08 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.25 -76.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.626 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 97.5 p -110.59 152.94 25.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.4 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -136.06 133.42 37.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.412 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.7 150.93 39.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.738 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.73 -162.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.505 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.21 170.69 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.676 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -96.03 19.21 11.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.79 -90.47 0.09 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -129.82 135.18 48.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.19 -179.81 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.363 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.6 99.41 6.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.478 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -88.8 107.44 18.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.41 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -123.72 141.03 52.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.214 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.26 -158.41 0.05 OUTLIER Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.06 44.74 1.03 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.358 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.59 -108.59 0.18 Allowed Glycine 0 C--N 1.336 0.578 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -134.46 125.13 26.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.77 164.89 32.19 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.334 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -123.28 115.03 21.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.65 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 160.95 41.07 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.101 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -28.5 102.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 124.503 3.469 . . . . 0.0 115.15 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.05 112.27 1.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.484 0.49 . . . . 0.0 110.162 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.38 104.87 0.44 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . 0.425 ' CZ ' ' OG1' ' B' ' 78' ' ' THR . 1.0 OUTLIER 69.24 94.42 0.07 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.948 0.404 . . . . 0.0 111.182 179.765 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.12 -90.21 0.49 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 94.3 p -100.3 149.82 23.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.91 0.386 . . . . 0.0 111.104 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.425 ' OG1' ' CZ ' ' D' ' 75' ' ' TYR . 48.3 m -111.27 111.17 22.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.198 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.57 101.76 0.87 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.17 100.87 0.2 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -71.52 132.71 45.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.133 0.492 . . . . 0.0 110.828 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.09 -44.89 0.76 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.32 132.17 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.806 0.336 . . . . 0.0 110.395 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.75 -62.98 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.206 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.98 91.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.778 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.72 139.82 25.45 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 91.0 p -141.01 147.11 38.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.42 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.12 -177.77 1.95 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.107 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 67.0 m -144.43 160.31 41.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.648 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.28 134.01 33.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.51 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -147.21 90.92 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.95 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.08 60.93 0.2 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.708 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.6 104.69 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.302 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.78 141.64 38.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.076 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.67 130.37 21.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.87 72.88 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.599 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.594 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.775 0.321 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.82 157.06 23.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -136.99 130.89 32.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.442 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.67 128.3 12.38 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.719 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 31.8 m -52.18 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.899 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 35.7 p -130.54 -98.23 0.33 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.13 55.43 5.74 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.439 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.55 -170.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.534 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.15 -54.6 1.09 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.26 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.627 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 97.0 p -110.52 152.9 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.377 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -136.01 133.47 37.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.475 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.78 150.89 39.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.764 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 -162.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.459 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -73.12 170.62 14.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.643 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.96 19.12 12.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.8 -90.41 0.09 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.85 135.13 48.03 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.21 -179.81 8.46 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.283 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -124.61 99.42 6.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.479 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.48 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.36 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.5 m -123.7 141.09 52.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.16 -158.48 0.05 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.05 44.85 1.04 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 122.755 -0.262 . . . . 0.0 111.308 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.57 -108.57 0.18 Allowed Glycine 0 C--N 1.336 0.554 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -134.55 125.16 26.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.83 164.92 32.17 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.37 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -123.28 115.1 21.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.677 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.54 161.07 40.47 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.003 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -28.58 102.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 124.511 3.474 . . . . 0.0 115.13 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.03 112.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.364 0.415 . . . . 0.0 110.16 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.27 104.95 0.43 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . 0.425 ' CZ ' ' OG1' ' C' ' 78' ' ' THR . 1.0 OUTLIER 69.25 94.3 0.07 Allowed 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.964 0.412 . . . . 0.0 111.218 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.94 -90.23 0.47 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 93.8 p -100.41 149.88 23.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.919 0.39 . . . . 0.0 111.05 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 78' ' ' THR . . . . . 0.429 ' OG1' ' CZ ' ' E' ' 75' ' ' TYR . 45.7 m -111.14 111.09 21.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.324 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.56 101.72 0.86 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.18 100.87 0.2 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.43 132.61 45.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.129 0.49 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.18 -44.94 0.75 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.41 132.19 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.735 0.302 . . . . 0.0 110.37 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 17.4 t -104.78 -62.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.218 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.9 91.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.79 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 28.6 t -146.65 139.74 25.48 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.381 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 91.7 p -141.02 147.09 38.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.13 -177.81 1.95 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.947 0.403 . . . . 0.0 111.084 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 66.9 m -144.4 160.35 41.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.641 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.25 133.99 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -147.13 90.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.012 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.02 60.93 0.2 Allowed Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.752 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.52 104.61 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.279 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.78 141.66 38.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.72 130.29 21.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.495 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.87 72.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.571 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.698 0.285 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -82.82 157.05 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.065 0.459 . . . . 0.0 111.13 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -136.93 130.89 32.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.35 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -149.84 129.21 12.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.765 0.793 . . . . 0.0 110.856 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 23.7 m -55.19 -60.87 2.79 Favored 'General case' 0 CA--C 1.52 -0.202 0 O-C-N 121.195 -0.941 . . . . 0.0 110.133 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -130.57 -97.53 0.34 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.837 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.28 49.75 18.71 Favored Glycine 0 C--N 1.348 1.235 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.257 175.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 52.32 -170.42 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 117.419 0.61 . . . . 0.0 110.112 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.02 -54.13 1.06 Allowed Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -161.83 -79.41 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.992 0.425 . . . . 0.0 109.86 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 95.1 p -109.81 152.52 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.802 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -135.94 133.4 37.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.418 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.69 150.95 39.52 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.905 0.383 . . . . 0.0 110.724 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.7 -162.76 0.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.16 170.59 14.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.631 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.87 19.13 11.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.894 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.81 -90.44 0.09 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.82 135.24 48.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.25 -179.88 8.52 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.344 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.57 99.48 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.455 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.49 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.353 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -123.68 140.76 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.969 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.51 -161.7 0.05 OUTLIER Glycine 0 CA--C 1.526 0.753 0 O-C-N 124.284 0.99 . . . . 0.0 111.515 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -82.88 45.92 1.05 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.985 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.02 -108.61 0.17 Allowed Glycine 0 N--CA 1.472 1.034 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.91 124.69 25.37 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.934 0.873 . . . . 0.0 109.554 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.94 164.56 33.38 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.193 -0.942 . . . . 0.0 111.139 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 66.6 m -123.48 116.4 23.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.4 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 161.21 38.87 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.023 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -31.89 107.94 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 123.457 2.772 . . . . 0.0 114.153 -176.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -63.04 114.17 3.54 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.527 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.79 103.79 0.39 Allowed Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . 0.429 ' CZ ' ' OG1' ' D' ' 78' ' ' THR . 0.9 OUTLIER 71.15 91.91 0.09 Allowed 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.61 179.151 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.14 -89.81 0.43 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 94.4 p -100.58 149.53 23.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.957 0.408 . . . . 0.0 111.06 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 78' ' ' THR . . . . . 0.425 ' OG1' ' CZ ' ' F' ' 75' ' ' TYR . 41.6 m -110.75 110.45 21.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.541 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.39 101.77 0.87 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.1 100.36 0.2 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -71.26 132.13 44.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.08 0.467 . . . . 0.0 110.927 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.54 -43.4 0.8 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 169.39 132.57 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.246 0.546 . . . . 0.0 110.115 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 18.8 t -105.07 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.71 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 50.04 91.17 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.765 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.51 139.67 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.278 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -140.99 147.1 38.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.446 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.24 -177.74 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.002 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 67.1 m -144.13 160.68 40.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.5 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 2.6 t -138.32 133.9 33.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.881 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -146.46 89.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.429 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.77 60.56 0.19 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.681 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -96.23 104.56 16.53 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.191 -0.203 . . . . 0.0 110.646 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.79 141.41 38.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.046 0.45 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.98 130.43 22.48 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.469 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.98 72.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.666 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.575 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.794 0.33 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.85 156.96 23.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -137.01 131.08 32.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.426 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.82 128.45 12.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.765 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m -52.19 -63.39 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.896 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 35.3 p -130.56 -98.28 0.33 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.24 55.45 5.82 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.475 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.57 -170.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.48 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.35 -54.63 1.07 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.21 -76.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.648 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 97.8 p -110.5 152.82 25.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.407 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -135.95 133.45 37.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.473 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.79 150.9 39.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.69 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 -162.74 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.509 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.13 170.72 14.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.709 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -96.03 19.18 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.886 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.79 -90.43 0.09 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.82 135.17 48.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 89.4 p -158.15 -179.76 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.27 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.66 99.56 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.87 107.46 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.355 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -123.72 141.21 52.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -158.34 0.05 OUTLIER Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.13 44.92 1.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.377 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.54 -108.52 0.18 Allowed Glycine 0 C--N 1.335 0.506 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -134.6 125.27 26.87 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.91 164.86 32.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.371 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -123.27 115.13 21.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.738 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.57 161.02 40.55 Favored Pre-proline 0 C--N 1.327 -0.376 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.042 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -28.44 102.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 124.537 3.491 . . . . 0.0 115.127 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.12 112.27 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.395 0.434 . . . . 0.0 110.178 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.22 105.06 0.42 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . 0.425 ' CZ ' ' OG1' ' E' ' 78' ' ' THR . 1.0 OUTLIER 69.25 94.44 0.07 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.968 0.413 . . . . 0.0 111.138 179.741 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.11 -90.25 0.48 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 94.1 p -100.35 149.89 23.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.081 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 78' ' ' THR . . . . . 0.428 ' OG1' ' CZ ' ' G' ' 75' ' ' TYR . 47.6 m -111.25 111.11 21.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.52 101.65 0.86 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.22 100.94 0.2 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.5 132.66 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.987 0.423 . . . . 0.0 110.921 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.1 -44.78 0.76 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.13 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.693 0.282 . . . . 0.0 110.396 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -104.77 -62.84 1.28 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.189 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 49.83 91.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.68 139.8 25.49 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.368 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -141.03 147.05 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.473 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.16 -177.84 1.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.032 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 66.8 m -144.4 160.35 41.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.589 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.31 134.0 33.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -147.11 90.9 1.93 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 122.98 60.9 0.2 Allowed Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.766 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.58 104.72 16.77 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.293 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.85 141.62 38.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.877 0.37 . . . . 0.0 111.024 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.66 130.31 21.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.468 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.86 72.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.534 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.63 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.73 0.3 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.84 156.99 23.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.215 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 93.2 m -136.93 130.91 32.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.416 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.66 128.41 12.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.715 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 31.5 m -52.26 -63.32 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.889 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 35.4 p -130.55 -98.16 0.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.05 55.57 5.62 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.476 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.55 -170.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.588 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.25 -54.7 1.08 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -162.17 -76.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.311 . . . . 0.0 110.671 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 97.3 p -110.52 152.89 25.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.358 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 43.7 t -135.99 133.45 37.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.482 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.69 150.97 39.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.74 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.8 -162.74 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.509 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.16 170.66 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.678 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -96.0 19.2 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.821 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.82 -90.52 0.09 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.75 135.25 48.23 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 89.7 p -158.21 -179.81 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.395 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.66 99.41 6.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.484 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.83 107.48 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.392 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -123.7 141.21 52.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.145 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.29 -158.38 0.05 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.18 44.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.418 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.51 -108.53 0.18 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -134.52 125.01 26.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.69 164.96 31.91 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.362 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -123.33 115.1 21.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.675 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.46 160.97 41.0 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.08 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -28.47 102.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.2 0 C-N-CA 124.521 3.481 . . . . 0.0 115.156 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -59.97 112.19 1.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.417 0.448 . . . . 0.0 110.201 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.3 104.96 0.43 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . 0.428 ' CZ ' ' OG1' ' F' ' 78' ' ' THR . 1.0 OUTLIER 69.26 94.47 0.07 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.933 0.396 . . . . 0.0 111.151 179.782 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.1 -90.25 0.48 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 93.8 p -100.39 149.81 23.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 0.0 111.054 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 78' ' ' THR . . . . . 0.43 ' OG1' ' CZ ' ' H' ' 75' ' ' TYR . 47.0 m -111.19 111.11 21.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.313 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.53 101.74 0.87 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.22 100.84 0.2 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -71.4 132.64 45.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.049 0.452 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.13 -44.93 0.75 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.37 132.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.795 0.331 . . . . 0.0 110.43 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 17.7 t -104.83 -62.83 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.196 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.92 91.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.72 139.74 25.39 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.311 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -140.99 147.19 38.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.448 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.18 -177.77 1.92 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.047 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 67.1 m -144.49 160.37 41.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.29 133.89 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -147.08 90.86 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.049 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.02 60.93 0.2 Allowed Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.778 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.56 104.75 16.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.276 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.83 141.67 38.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.881 0.372 . . . . 0.0 111.046 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.67 130.35 21.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 40.8 t 54.83 72.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.572 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.562 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.739 0.304 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.82 156.98 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.932 0.396 . . . . 0.0 111.284 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 93.0 m -136.95 130.95 32.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.402 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -149.72 128.41 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.746 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 31.3 m -52.34 -63.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.391 -0.523 . . . . 0.0 109.836 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 35.4 p -130.53 -98.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.15 55.44 5.75 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 121.254 -0.498 . . . . 0.0 112.48 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.58 -170.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.576 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.36 -54.62 1.07 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -162.18 -76.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.59 152.87 25.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.337 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -135.92 133.49 37.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.76 150.99 39.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.74 -162.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.469 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.12 170.61 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.698 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.98 19.28 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.895 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.88 -90.36 0.09 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -129.88 135.17 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 89.3 p -158.2 -179.75 8.41 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.339 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.62 99.38 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.476 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.53 19.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.332 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.1 m -123.79 141.22 52.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.25 -158.34 0.05 OUTLIER Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.13 44.9 1.05 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.441 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.54 -108.69 0.18 Allowed Glycine 0 C--N 1.336 0.542 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.47 124.98 26.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.68 165.01 31.76 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.274 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -123.34 115.02 20.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.717 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 160.99 40.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.068 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -28.6 102.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 124.516 3.477 . . . . 0.0 115.108 -177.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -59.93 112.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.259 0.349 . . . . 0.0 110.262 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.41 104.91 0.44 Allowed Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . 0.43 ' CZ ' ' OG1' ' G' ' 78' ' ' THR . 1.0 OUTLIER 69.25 94.61 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.946 0.403 . . . . 0.0 111.08 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.22 -90.3 0.49 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 93.9 p -100.27 149.98 23.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.947 0.403 . . . . 0.0 111.04 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 78' ' ' THR . . . . . 0.428 ' OG1' ' CZ ' ' I' ' 75' ' ' TYR . 47.6 m -111.32 111.07 21.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.245 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.49 101.81 0.87 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.13 100.92 0.2 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -71.54 132.65 44.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.105 0.479 . . . . 0.0 110.966 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.18 -44.87 0.75 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.2 0.02 OUTLIER 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.743 0.306 . . . . 0.0 110.418 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -104.81 -63.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.155 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 50.0 91.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.71 139.74 25.4 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.366 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 91.1 p -140.93 147.15 38.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.375 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.21 -177.83 1.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.116 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 66.4 m -144.4 160.33 41.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.74 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.27 133.89 33.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -147.11 90.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.003 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.05 61.01 0.2 Allowed Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.043 -0.599 . . . . 0.0 111.765 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.55 104.73 16.78 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.277 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.83 141.73 38.68 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.884 0.373 . . . . 0.0 111.041 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.74 130.45 21.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.4 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.74 72.98 0.43 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.58 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.707 0.289 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.64 157.17 23.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.3 m -137.24 130.97 31.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.482 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -149.59 129.44 13.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.689 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 30.4 m -53.61 -63.27 1.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -130.66 -97.86 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 43.96 55.4 5.62 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.249 -0.501 . . . . 0.0 112.412 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.65 -170.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.181 0.49 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.34 -54.77 1.07 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.19 -76.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 0.0 110.647 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.54 152.87 25.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.362 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -136.0 133.53 37.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.445 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.75 150.94 39.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.702 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.69 -162.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.525 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 59.7 p -73.21 170.66 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.63 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.96 19.15 11.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.77 -90.41 0.09 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.89 135.31 48.22 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 89.4 p -158.34 -179.76 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.223 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.71 99.56 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.94 107.53 19.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.38 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.1 m -123.53 141.47 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.165 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.56 -158.32 0.06 OUTLIER Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.21 45.9 1.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 122.816 -0.226 . . . . 0.0 111.163 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.83 -108.54 0.16 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 19.5 p -134.41 125.2 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -148.02 165.0 32.07 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.273 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m -123.48 115.03 20.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.714 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.19 161.06 41.48 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -28.94 103.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 124.543 3.495 . . . . 0.0 114.791 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -60.02 112.77 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.259 0.349 . . . . 0.0 110.217 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.23 105.13 0.42 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . 0.428 ' CZ ' ' OG1' ' H' ' 78' ' ' THR . 1.0 OUTLIER 69.27 94.27 0.07 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.045 179.72 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.74 -89.86 0.47 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 94.4 p -100.43 149.79 23.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 111.027 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 47.9 m -110.9 110.97 21.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.38 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.36 101.81 0.88 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.21 101.01 0.2 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -71.43 132.9 45.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.09 0.471 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.07 -44.67 0.77 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.25 132.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.737 0.303 . . . . 0.0 110.445 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.8 -62.94 1.27 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.163 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.86 91.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.764 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 28.7 t -146.66 140.05 25.7 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.671 -0.411 . . . . 0.0 111.267 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 91.7 p -141.29 146.9 37.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.342 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.14 -177.95 1.98 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.025 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 67.0 m -144.27 160.2 41.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.662 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -137.95 133.75 34.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -147.3 91.5 1.99 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.072 0.463 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 122.68 61.34 0.21 Allowed Glycine 0 CA--C 1.527 0.804 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.727 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -97.44 104.52 16.55 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.355 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.89 141.69 38.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.094 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.71 130.29 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 41.0 t 54.94 72.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.628 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.473 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.763 0.316 . . . . 0.0 110.72 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -66.74 136.8 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 m -123.29 136.56 54.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.305 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.69 163.87 27.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.446 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.1 m -127.31 -51.8 1.4 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.639 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.5 m -136.1 157.41 46.89 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.94 0.4 . . . . 0.0 111.586 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.57 72.76 1.07 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 121.148 -0.548 . . . . 0.0 112.141 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 41.31 81.71 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.518 0.187 . . . . 0.0 111.223 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.05 89.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.21 83.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.0 110.495 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.6 t -130.44 128.2 40.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.861 0.363 . . . . 0.0 110.916 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.9 m -102.28 146.06 28.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.324 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -121.03 121.43 37.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.488 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.3 p -152.18 25.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.1 t -60.34 132.43 53.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -80.75 -27.07 36.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.42 161.4 54.35 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.9 -173.82 2.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.601 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m 57.48 39.68 27.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -101.33 99.6 9.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -114.12 121.26 43.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.558 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.2 m -113.72 123.23 49.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.564 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.88 10.39 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.3 -45.43 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.022 0.439 . . . . 0.0 110.478 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.53 -135.92 13.13 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.6 p -121.67 141.39 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 110.489 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.29 163.82 32.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.762 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -136.04 121.24 19.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.452 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.409 ' C ' ' OG1' ' B' ' 71' ' ' THR . 29.9 p -73.24 164.55 60.15 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.415 ' N ' ' OG1' ' B' ' 71' ' ' THR . 42.3 Cg_endo -90.13 106.92 0.36 Allowed 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 123.042 2.495 . . . . 0.0 113.708 -176.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -56.49 113.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.848 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.67 101.11 2.59 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.575 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.61 69.3 0.42 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.563 0.697 . . . . 0.0 111.41 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.51 -98.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.6 t -99.51 120.6 39.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.9 m -84.91 123.5 30.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.246 0.546 . . . . 0.0 111.031 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.92 101.3 0.25 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.73 100.54 0.43 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -60.92 -165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.593 0.235 . . . . 0.0 110.756 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.78 -47.71 2.76 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.22 131.04 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.75 0.31 . . . . 0.0 110.44 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -106.71 -65.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.751 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.35 104.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.608 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.9 122.39 34.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.7 m -136.09 116.98 14.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.353 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.06 -171.63 0.45 Allowed 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.867 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.0 p -171.09 163.98 7.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.541 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.45 135.53 5.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.582 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -48.21 -78.77 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.941 0.4 . . . . 0.0 111.703 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.85 79.36 0.06 OUTLIER Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.655 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.61 173.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.724 0.297 . . . . 0.0 110.64 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -149.67 160.03 43.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.56 117.61 20.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.39 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.1 t 56.39 55.18 6.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.634 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.585 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.772 0.32 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.6 m -66.78 136.81 56.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 41.3 m -123.13 136.74 54.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.353 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.59 163.33 28.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.635 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.28 -51.87 1.4 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.649 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.4 m -135.9 157.98 45.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.102 0.477 . . . . 0.0 111.593 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.71 74.48 0.91 Allowed Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.917 -0.658 . . . . 0.0 111.997 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.6 82.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.625 0.25 . . . . 0.0 111.42 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.19 89.37 0.05 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 65.31 82.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.537 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.46 127.77 39.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.11 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 70.6 m -101.86 146.19 28.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.309 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.01 121.42 37.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.497 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 80.2 p -152.21 25.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -60.32 132.43 53.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.569 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -80.76 -27.17 36.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.5 161.36 54.35 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.78 -173.7 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.679 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.2 m 57.36 39.68 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.735 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.34 99.73 10.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.16 121.17 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.654 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 85.9 m -113.7 123.33 49.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.616 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.03 130.75 10.34 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.71 -44.8 7.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 0.0 110.493 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.1 -136.22 13.34 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 56.6 p -121.45 141.45 51.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.853 0.359 . . . . 0.0 110.53 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.24 164.22 31.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.699 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 29.8 t -136.29 120.91 18.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.353 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' THR . . . . . 0.425 ' C ' ' OG1' ' C' ' 71' ' ' THR . 30.1 p -73.61 165.25 54.7 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.886 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . 0.42 ' N ' ' OG1' ' C' ' 71' ' ' THR . 41.4 Cg_endo -90.66 104.49 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 123.319 2.679 . . . . 0.0 114.451 -175.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.98 113.12 1.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.011 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.89 101.35 2.62 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.731 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.76 69.4 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.257 0.551 . . . . 0.0 111.179 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.41 -98.57 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.48 120.4 39.57 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 17.1 m -83.99 123.93 30.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.936 0.398 . . . . 0.0 111.036 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.34 101.2 0.25 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.67 100.74 0.44 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -61.04 -166.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.731 0.3 . . . . 0.0 110.719 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.92 -47.42 2.71 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.17 131.1 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.68 0.276 . . . . 0.0 110.46 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 67.9 m -106.69 -65.17 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.763 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 19.8 tm0? 65.3 104.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.614 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.88 122.3 34.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 70.7 m -135.91 116.94 14.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.92 -171.56 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.917 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -171.19 163.93 7.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.587 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.38 135.51 5.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.725 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -48.35 -79.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.286 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 79.22 0.06 OUTLIER Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.546 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.56 173.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.715 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.62 160.03 43.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.927 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.58 117.65 20.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.426 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.42 55.1 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.696 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.676 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 0.0 110.697 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -66.74 136.75 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 41.7 m -123.15 136.74 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.257 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.6 163.43 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.768 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 54.6 m -127.46 -51.79 1.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.703 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 34.2 m -135.95 157.88 45.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.082 0.468 . . . . 0.0 111.617 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.79 74.41 0.92 Allowed Glycine 0 C--O 1.225 -0.437 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.035 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.71 82.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.507 0.194 . . . . 0.0 111.487 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.28 89.38 0.05 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 65.39 82.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.562 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 42.2 t -130.41 127.71 39.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -101.8 146.24 28.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.347 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.11 121.43 37.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.479 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 80.2 p -152.16 25.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.603 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -60.32 132.45 53.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.8 -27.14 36.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.42 161.27 54.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.72 -173.69 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.714 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m 57.38 39.57 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.25 99.68 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.544 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -114.14 121.15 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.664 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 86.2 m -113.61 123.3 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.626 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.95 130.65 10.31 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.69 -44.79 7.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.341 . . . . 0.0 110.542 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.15 -136.28 13.38 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 55.9 p -121.46 141.59 50.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.85 0.357 . . . . 0.0 110.54 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -144.32 164.22 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.665 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -136.41 120.86 18.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.252 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 71' ' ' THR . . . . . 0.426 ' C ' ' OG1' ' D' ' 71' ' ' THR . 30.2 p -73.58 165.42 53.21 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.902 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . 0.421 ' N ' ' OG1' ' D' ' 71' ' ' THR . 41.2 Cg_endo -90.79 104.27 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 123.27 2.647 . . . . 0.0 114.518 -175.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.74 113.1 1.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.036 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.97 101.54 2.64 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.669 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.71 69.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.252 0.548 . . . . 0.0 111.129 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.44 -98.53 0.01 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -99.5 120.5 39.73 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 17.4 m -84.09 124.09 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.965 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.44 101.15 0.24 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.75 100.76 0.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.96 -166.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.737 0.303 . . . . 0.0 110.773 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.93 -47.44 2.71 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.23 131.23 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.762 0.315 . . . . 0.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 67.0 m -106.73 -65.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.706 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.32 104.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.698 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 8.3 t -126.84 122.34 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.939 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -135.9 116.85 14.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.418 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.88 -171.55 0.46 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.915 -179.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -171.14 163.86 7.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.61 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.33 135.62 6.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.745 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -48.42 -79.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.39 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.72 79.2 0.06 OUTLIER Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.515 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.68 173.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.647 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -149.59 160.09 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.65 117.53 20.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.5 55.08 6.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.655 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.677 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.775 0.322 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 67.2 m -66.74 136.87 56.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 41.1 m -123.25 136.81 54.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.312 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.61 163.37 28.23 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.702 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 55.1 m -127.48 -51.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.488 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 34.0 m -135.72 158.02 45.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 111.6 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.64 74.48 0.91 Allowed Glycine 0 C--O 1.224 -0.505 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.979 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 39.67 82.14 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.571 0.224 . . . . 0.0 111.418 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.34 89.45 0.06 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.37 82.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.509 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.46 127.64 39.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.124 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 70.2 m -101.74 146.22 28.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.322 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.04 121.41 37.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.18 25.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.594 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.23 132.42 53.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.562 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.81 -27.07 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.57 161.34 54.36 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.8 -173.68 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.635 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m 57.42 39.6 28.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.764 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -101.3 99.67 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.463 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -114.15 121.21 43.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.673 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -113.72 123.24 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.708 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.68 10.32 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.66 -44.8 7.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 110.527 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.11 -136.23 13.35 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 56.3 p -121.54 141.58 50.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.955 0.407 . . . . 0.0 110.458 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.33 164.14 31.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.628 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.23 120.84 18.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.289 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 71' ' ' THR . . . . . 0.428 ' C ' ' OG1' ' E' ' 71' ' ' THR . 30.1 p -73.61 165.42 53.2 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.916 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . 0.424 ' N ' ' OG1' ' E' ' 71' ' ' THR . 41.0 Cg_endo -90.78 104.15 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 123.327 2.685 . . . . 0.0 114.649 -175.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.67 113.06 1.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.127 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.92 101.43 2.63 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.731 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.81 69.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.227 0.537 . . . . 0.0 111.177 179.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.37 -98.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 30.3 t -99.44 120.47 39.66 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 16.9 m -83.79 123.94 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.174 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.52 101.23 0.25 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.63 100.84 0.44 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -61.14 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.733 0.301 . . . . 0.0 110.72 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.96 -47.46 2.7 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.21 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.68 0.276 . . . . 0.0 110.512 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 67.3 m -106.66 -65.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.684 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.38 104.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.614 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.92 122.39 34.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 70.9 m -135.95 116.97 14.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.342 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.02 -171.6 0.45 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.926 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -171.11 163.84 7.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.586 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.32 135.63 6.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.744 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -48.5 -79.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.64 79.21 0.06 OUTLIER Glycine 0 CA--C 1.525 0.704 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.509 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.61 173.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 110.708 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.6 160.07 43.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.62 117.66 20.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.44 55.07 6.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.7 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.786 0.327 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 67.5 m -66.85 136.9 56.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 40.6 m -123.31 136.8 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.358 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.34 163.02 28.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.846 0.355 . . . . 0.0 110.686 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 50.8 m -128.06 -49.32 1.33 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 119.024 -1.071 . . . . 0.0 112.89 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 41.7 m -131.52 156.53 45.54 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.9 70.54 1.31 Allowed Glycine 0 C--O 1.223 -0.588 0 C-N-CA 119.25 -1.452 . . . . 0.0 112.284 175.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 40.25 82.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.857 0.329 . . . . 0.0 111.049 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.21 87.85 0.05 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 65.6 83.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 110.633 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.99 127.63 38.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 71.1 m -101.88 146.63 27.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.996 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.33 121.5 37.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.627 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.2 25.56 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -60.31 132.44 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.597 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.76 -27.06 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.606 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.55 161.3 54.34 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.73 -173.78 2.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.639 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m 57.47 39.66 27.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.724 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.3 99.36 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.594 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -113.79 120.96 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.735 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.64 123.03 48.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.643 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.38 130.51 10.26 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.56 -45.56 7.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.74 0.305 . . . . 0.0 110.267 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.62 -135.88 13.1 Favored Glycine 0 N--CA 1.469 0.843 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 56.5 p -121.93 141.06 51.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.737 0.303 . . . . 0.0 110.497 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.0 164.25 31.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.693 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -136.34 121.66 19.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.092 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 71' ' ' THR . . . . . 0.429 ' C ' ' OG1' ' F' ' 71' ' ' THR . 30.4 p -73.94 165.45 53.19 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.915 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . 0.421 ' N ' ' OG1' ' F' ' 71' ' ' THR . 45.0 Cg_endo -91.6 108.19 0.27 Allowed 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.39 2.06 . . . . 0.0 113.48 -175.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -57.41 114.44 2.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.557 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.77 100.88 2.58 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.813 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 68.2 67.45 0.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.887 0.375 . . . . 0.0 111.516 178.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.35 -99.32 0.01 OUTLIER Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 30.1 t -99.07 120.74 39.97 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 16.4 m -84.06 123.43 30.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 111.081 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.0 101.48 0.26 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.62 100.55 0.43 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.91 -164.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.795 0.331 . . . . 0.0 110.765 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.85 -44.74 3.01 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 169.18 131.43 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.962 0.411 . . . . 0.0 110.238 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 67.8 m -106.82 -65.17 1.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.682 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? 65.42 104.02 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.734 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.53 122.34 34.88 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.771 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -135.97 117.0 14.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.28 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.04 -171.82 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.888 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 86.4 p -170.16 164.58 9.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.531 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.65 135.97 5.97 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.83 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -49.6 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.533 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.69 76.87 0.07 OUTLIER Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.048 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -49.55 173.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 0.0 110.749 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.43 160.08 43.74 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.49 117.44 20.51 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 16.5 t 56.35 55.33 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.811 0.695 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 82.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.655 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.787 0.327 . . . . 0.0 110.745 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 67.5 m -66.82 136.82 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 41.9 m -123.18 136.86 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.291 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.64 163.36 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.754 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.39 -51.87 1.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.489 -0.485 . . . . 0.0 111.646 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 33.9 m -135.83 158.01 45.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.131 0.491 . . . . 0.0 111.636 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.65 74.64 0.9 Allowed Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.964 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.4 82.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.656 0.265 . . . . 0.0 111.496 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.28 89.42 0.05 OUTLIER Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 65.45 82.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 0.0 110.628 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.36 127.62 39.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.141 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -101.74 146.24 28.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.332 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.12 121.39 37.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.432 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 80.0 p -152.21 25.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -60.29 132.45 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.579 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.77 -27.13 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.6 161.25 54.34 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.65 -173.72 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m 57.47 39.6 27.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.33 99.71 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.12 121.2 43.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -113.67 123.31 49.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.641 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.02 130.72 10.33 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.69 -44.78 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.04 -136.36 13.43 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 57.3 p -121.38 141.55 50.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.831 0.348 . . . . 0.0 110.61 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -144.29 164.11 31.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.656 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.29 120.89 18.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.306 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 71' ' ' THR . . . . . 0.429 ' OG1' ' C ' ' E' ' 71' ' ' THR . 30.3 p -73.58 165.4 53.41 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . 0.422 ' N ' ' OG1' ' G' ' 71' ' ' THR . 41.0 Cg_endo -90.74 104.22 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 123.268 2.646 . . . . 0.0 114.63 -175.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.59 112.98 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.049 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.96 101.41 2.63 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.725 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.88 69.45 0.4 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.246 0.546 . . . . 0.0 111.042 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.44 -98.51 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.49 120.46 39.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 17.2 m -83.96 123.94 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.946 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.36 101.2 0.25 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.64 100.78 0.44 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -60.98 -166.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.798 0.332 . . . . 0.0 110.66 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.87 -47.47 2.73 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.24 131.26 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.761 0.315 . . . . 0.0 110.419 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 67.4 m -106.76 -65.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.696 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.22 104.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.85 122.38 34.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -135.97 116.96 14.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.353 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.87 -171.55 0.46 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.012 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 85.9 p -171.13 163.83 7.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.591 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.32 135.61 6.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.719 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.51 -79.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.289 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.58 79.12 0.06 OUTLIER Glycine 0 CA--C 1.525 0.713 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.576 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.55 173.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 110.696 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.52 160.14 43.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.969 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.68 117.61 20.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 16.7 t 56.42 55.13 6.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.714 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.611 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -66.89 136.86 56.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 41.6 m -123.18 136.71 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.265 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.63 163.36 28.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.773 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.35 -51.88 1.39 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.614 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 33.3 m -135.92 157.96 45.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.095 0.474 . . . . 0.0 111.6 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.71 74.48 0.91 Allowed Glycine 0 C--O 1.224 -0.477 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.004 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.65 82.06 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.528 0.204 . . . . 0.0 111.53 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.27 89.35 0.05 OUTLIER Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.38 82.96 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.318 . . . . 0.0 110.526 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.48 127.59 39.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.074 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -101.75 146.33 27.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.278 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.17 121.45 37.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.457 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.28 25.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -60.31 132.48 54.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.568 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -80.82 -27.08 36.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.5 161.18 54.31 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.65 -173.8 2.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.378 . . . . 0.0 110.649 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m 57.54 39.53 27.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.729 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.21 99.62 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -114.09 121.23 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.646 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.69 123.32 49.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.613 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.0 130.67 10.32 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.6 -44.9 7.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 110.502 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.15 -136.32 13.4 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 57.9 p -121.35 141.53 50.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 110.544 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.35 164.2 31.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.648 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.37 120.91 18.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.348 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 71' ' ' THR . . . . . 0.427 ' OG1' ' C ' ' F' ' 71' ' ' THR . 30.1 p -73.58 165.43 53.09 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.901 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . 0.42 ' N ' ' OG1' ' H' ' 71' ' ' THR . 41.1 Cg_endo -90.75 104.16 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 123.336 2.69 . . . . 0.0 114.572 -175.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.66 113.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.107 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.92 101.48 2.63 Favored Glycine 0 CA--C 1.523 0.577 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.668 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.78 69.44 0.41 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 111.118 179.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.38 -98.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -99.47 120.38 39.53 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 17.4 m -83.91 124.01 30.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.96 0.409 . . . . 0.0 111.016 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.4 101.26 0.25 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.67 100.72 0.44 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.94 -166.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.767 0.317 . . . . 0.0 110.69 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.88 -47.46 2.72 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.19 131.13 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.704 0.288 . . . . 0.0 110.493 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 66.6 m -106.72 -65.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.31 104.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.664 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.81 122.31 34.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 70.9 m -135.9 116.98 14.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.95 -171.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.888 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -171.15 163.86 7.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.594 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.31 135.62 6.12 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.745 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.54 -79.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.327 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.64 79.18 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.493 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.62 173.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.724 0.297 . . . . 0.0 110.691 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.5 160.17 43.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.68 117.6 20.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 16.9 t 56.46 55.07 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.221 -0.399 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.658 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.829 0.347 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -66.89 136.9 56.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 41.0 m -123.23 136.64 54.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.59 163.29 28.39 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.732 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 54.3 m -127.35 -51.79 1.39 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.451 -0.499 . . . . 0.0 111.715 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 33.7 m -135.88 157.98 45.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 0.0 111.612 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.79 74.52 0.91 Allowed Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.975 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.66 82.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.613 0.244 . . . . 0.0 111.474 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.33 89.32 0.05 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.3 82.99 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 110.567 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -130.52 127.58 39.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.088 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -101.74 146.23 28.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.308 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.15 121.47 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.437 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.22 25.58 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.35 132.5 54.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.582 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -80.86 -27.09 36.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.44 161.17 54.3 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.66 -173.81 2.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.309 . . . . 0.0 110.72 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 50.5 m 57.46 39.73 27.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.687 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.32 99.65 10.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.498 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -114.12 121.24 43.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.637 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.69 123.35 49.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.03 130.6 10.29 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.65 -44.71 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.557 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.04 -136.36 13.43 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 57.3 p -121.39 141.52 50.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.847 0.356 . . . . 0.0 110.587 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.32 164.14 31.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.679 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.3 120.93 18.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.303 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 71' ' ' THR . . . . . 0.425 ' OG1' ' C ' ' G' ' 71' ' ' THR . 30.3 p -73.73 165.58 51.85 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.832 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . 0.408 ' N ' ' OG1' ' I' ' 71' ' ' THR . 41.4 Cg_endo -90.81 104.18 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 123.326 2.684 . . . . 0.0 114.539 -175.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.64 113.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.88 101.42 2.62 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.744 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.86 69.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.223 0.535 . . . . 0.0 111.116 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.41 -98.52 0.01 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.43 120.35 39.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 17.3 m -83.91 124.17 30.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 111.016 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.52 101.22 0.25 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.68 100.79 0.44 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -60.98 -166.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.826 0.346 . . . . 0.0 110.652 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.93 -47.37 2.71 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.19 131.17 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.762 0.315 . . . . 0.0 110.415 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 67.5 m -106.66 -65.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.699 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? 65.31 104.38 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.78 122.41 34.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -135.96 116.88 14.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.394 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.97 -171.79 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.902 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -170.92 163.97 7.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.618 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.35 135.6 6.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.783 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.52 -79.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.256 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.6 79.23 0.06 OUTLIER Glycine 0 CA--C 1.526 0.758 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.508 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.57 173.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.694 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.54 160.07 43.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.934 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.58 117.62 20.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.5 55.07 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 82.5 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.705 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.801 0.334 . . . . 0.0 110.727 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -66.72 137.08 56.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 39.9 m -123.42 136.65 54.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.92 161.89 31.97 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 53.1 m -126.27 -52.41 1.51 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.696 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 34.1 m -135.37 158.03 45.39 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.637 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.87 74.5 0.92 Allowed Glycine 0 C--O 1.225 -0.431 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.967 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 39.4 82.7 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.672 0.273 . . . . 0.0 111.44 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.59 89.32 0.06 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 65.05 83.49 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.456 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 42.8 t -131.04 127.44 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.905 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -101.74 146.17 28.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.351 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.03 121.49 38.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.465 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 79.9 p -152.25 25.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.35 132.43 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.68 -27.2 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.622 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.34 161.2 54.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.74 -173.8 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.655 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 50.5 m 57.45 39.7 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.738 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.39 99.73 10.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.07 121.43 43.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.648 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 84.9 m -114.03 123.38 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.575 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.01 130.43 10.23 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -95.1 -44.09 7.81 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.542 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.9 -136.65 13.62 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 52.2 p -121.23 141.62 50.7 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.542 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.42 164.24 31.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.901 0.381 . . . . 0.0 110.582 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -136.25 121.18 18.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.18 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 71' ' ' THR . . . . . 0.412 ' OG1' ' C ' ' H' ' 71' ' ' THR . 31.2 p -73.1 166.67 41.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.715 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -91.17 104.79 0.26 Allowed 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 123.282 2.654 . . . . 0.0 114.387 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -53.98 113.53 1.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.046 0.45 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.07 101.49 2.64 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.634 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 66.98 69.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.028 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.29 -98.26 0.01 OUTLIER Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 30.3 t -99.37 120.63 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 18.6 m -83.51 124.42 30.72 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.001 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.79 101.13 0.24 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.72 100.9 0.44 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -61.12 -166.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.957 0.408 . . . . 0.0 110.67 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.98 -47.18 2.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.15 131.21 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.692 0.282 . . . . 0.0 110.509 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 67.1 m -106.64 -65.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.26 104.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.85 122.35 34.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 71.0 m -135.85 116.96 14.39 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.303 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.04 -172.45 0.5 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.854 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.0 p -170.32 164.05 8.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.618 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 4.4 m -162.03 136.15 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.863 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -49.42 -79.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.54 78.99 0.07 OUTLIER Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.434 -0.889 . . . . 0.0 111.416 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.44 173.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.82 0.343 . . . . 0.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.58 160.03 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.57 117.64 20.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.385 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 16.6 t 56.37 55.32 6.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.679 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.574 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.709 0.29 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.6 m -130.46 133.66 46.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.699 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.8 m -136.06 122.84 21.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.318 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -150.08 127.07 11.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.343 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.39 -52.45 9.11 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.637 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 p -132.5 -175.53 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.016 0.436 . . . . 0.0 110.987 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.13 68.44 1.65 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' A' ' 58' ' ' TYR . 10.7 m-85 31.98 71.45 0.08 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.146 0.556 . . . . 0.0 112.077 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.7 96.54 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 67.77 87.06 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.859 0.362 . . . . 0.0 110.447 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.9 t -161.87 144.1 11.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.782 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.8 p -150.36 164.66 35.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.432 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 42.01 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.483 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.8 m -59.97 -41.01 91.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.599 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m 49.76 61.65 3.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' A' ' 50' ' ' TYR . 78.8 m-85 -59.96 -39.47 85.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.18 -150.86 12.03 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.06 27.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.707 0.289 . . . . 0.0 110.807 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.5 t -154.2 -69.15 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.751 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.79 105.06 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.519 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.56 154.59 51.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.003 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -134.35 133.96 41.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.66 -160.53 0.09 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.15 -52.05 12.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.08 -120.55 4.85 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -135.31 125.34 25.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.921 0.391 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -150.77 179.49 8.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.072 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -117.06 109.62 17.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.751 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 173.09 6.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.44 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -44.02 172.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 123.044 2.496 . . . . 0.0 113.623 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -102.94 -160.81 0.8 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.751 -1.113 . . . . 0.0 108.588 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.71 93.14 0.01 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -178.73 -41.07 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.02 -159.98 2.53 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.7 t -97.1 90.92 5.32 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.994 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.5 p -65.04 118.84 9.72 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.89 89.93 0.51 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.51 130.3 1.15 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -90.78 53.83 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.053 0.454 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.1 -70.41 0.34 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -159.48 106.88 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.477 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -131.95 85.53 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -136.18 143.15 44.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.441 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 p -163.9 -175.92 4.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.04 0.448 . . . . 0.0 111.289 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -144.98 139.36 27.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.731 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.09 -170.56 0.55 Allowed 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.146 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -170.7 167.11 7.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 111.095 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.32 137.18 51.82 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.371 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -139.95 87.92 2.19 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.202 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.87 59.69 0.22 Allowed Glycine 0 CA--C 1.526 0.753 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.581 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -98.53 116.1 30.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 110.635 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.3 137.11 37.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.804 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.98 119.74 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.48 79.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.599 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.522 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.714 0.293 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 61.7 m -130.27 133.56 46.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 25.3 m -135.98 122.81 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.419 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -150.04 127.02 11.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.757 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.57 -52.65 8.68 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.59 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 59.7 p -132.4 -175.37 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.097 0.475 . . . . 0.0 110.957 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.64 1.34 Allowed Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.411 ' CZ ' ' OH ' ' B' ' 58' ' ' TYR . 10.4 m-85 30.66 71.99 0.07 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.965 0.45 . . . . 0.0 112.193 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.08 96.45 0.27 Allowed Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.94 86.89 0.13 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.854 0.359 . . . . 0.0 110.433 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.86 143.82 11.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.816 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 98.4 p -150.2 164.8 34.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.521 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 41.95 30.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.462 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -59.94 -41.07 91.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.578 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m 49.83 61.66 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.522 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . 0.411 ' OH ' ' CZ ' ' B' ' 50' ' ' TYR . 78.4 m-85 -60.0 -39.4 85.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.775 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.25 -150.72 11.86 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.22 27.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 0.0 110.79 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 24.1 t -154.32 -68.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.86 105.03 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -135.52 154.92 51.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.013 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 99.2 m -134.54 134.16 41.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.686 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -160.39 0.09 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.21 -51.94 13.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.736 0.303 . . . . 0.0 110.911 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.86 -120.55 4.86 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.37 125.36 25.85 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.54 -179.97 7.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.427 . . . . 0.0 111.056 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -117.41 109.33 16.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.746 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.83 173.3 6.85 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.341 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -43.82 173.46 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 123.072 2.515 . . . . 0.0 113.557 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' B' ' 75' ' ' TYR . 1.2 tp60 -104.56 -161.6 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.913 -1.04 . . . . 0.0 108.457 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.88 93.17 0.01 OUTLIER Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' B' ' 73' ' ' GLN . 2.4 t80 -178.22 -42.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.983 0.421 . . . . 0.0 110.75 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.46 -159.89 2.91 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 27.8 t -97.23 90.62 5.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.69 0.281 . . . . 0.0 110.927 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 65.6 p -64.66 118.94 9.63 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.93 90.18 0.51 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.35 130.31 1.15 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -90.62 54.47 2.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.001 0.429 . . . . 0.0 110.795 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.45 -70.37 0.33 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 25.8 t -159.57 107.09 1.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.848 0.356 . . . . 0.0 110.521 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -132.01 85.51 2.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.354 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.21 142.89 44.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.521 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -163.57 -175.81 4.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.071 0.463 . . . . 0.0 111.374 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -145.05 139.04 27.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.762 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.81 -170.45 0.57 Allowed 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.321 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -170.76 166.98 7.82 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.17 137.02 51.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.423 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -140.14 88.67 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.215 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.34 60.04 0.22 Allowed Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.623 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -98.65 116.04 30.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 110.617 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.4 137.05 36.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.93 119.73 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.372 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.56 79.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.561 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.713 0.292 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -130.32 133.62 46.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.744 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 25.4 m -135.97 122.81 21.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.386 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -150.05 127.14 11.23 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.682 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.63 -52.71 8.56 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.612 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 59.9 p -132.37 -175.37 3.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.078 0.466 . . . . 0.0 110.998 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.59 1.35 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . 0.411 ' CZ ' ' OH ' ' C' ' 58' ' ' TYR . 10.2 m-85 30.67 71.92 0.07 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.08 96.49 0.27 Allowed Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.92 86.86 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 0.0 110.453 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -161.83 143.85 11.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 100.0 p -150.13 164.78 34.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.39 41.94 30.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.442 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 74.2 m -59.89 -41.03 90.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.654 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 53.3 m 49.73 61.69 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.565 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . 0.411 ' OH ' ' CZ ' ' C' ' 50' ' ' TYR . 78.6 m-85 -59.93 -39.58 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.735 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.38 -150.69 11.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.26 27.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 110.794 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 24.3 t -154.32 -69.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.745 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.82 104.98 7.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.501 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.52 155.01 51.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 111.047 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 99.0 m -134.46 134.23 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.98 -160.33 0.09 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.32 -51.94 13.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.684 0.278 . . . . 0.0 110.927 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.92 -120.64 4.89 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -135.34 125.39 25.94 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.565 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.65 -179.97 7.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 111.044 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -117.39 109.43 16.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.713 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.87 173.34 6.8 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.316 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -43.88 173.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 123.066 2.511 . . . . 0.0 113.523 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' C' ' 75' ' ' TYR . 1.2 tp60 -104.7 -161.64 0.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.375 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.96 93.15 0.01 OUTLIER Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' C' ' 73' ' ' GLN . 2.4 t80 -178.18 -41.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 110.753 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.28 -159.79 2.8 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 27.8 t -97.24 90.66 5.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.683 0.278 . . . . 0.0 110.934 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 64.5 p -64.74 118.85 9.55 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.86 90.29 0.52 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.28 130.31 1.15 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -90.7 54.47 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.916 0.388 . . . . 0.0 110.707 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.39 -70.24 0.33 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 25.8 t -159.63 107.13 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 110.462 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -132.1 85.55 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.25 142.79 44.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.519 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 16.2 p -163.52 -175.82 4.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.008 0.432 . . . . 0.0 111.411 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 66.9 m -145.03 139.01 27.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.718 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.78 -170.48 0.58 Allowed 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.348 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -170.77 166.9 7.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.814 0.34 . . . . 0.0 111.079 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.13 137.01 51.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.419 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.11 88.69 2.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.265 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.3 60.09 0.23 Allowed Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.619 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -98.6 116.02 29.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.733 0.301 . . . . 0.0 110.642 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.36 137.08 36.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 119.77 21.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.64 78.98 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.571 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.704 0.287 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 63.1 m -130.29 133.58 46.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 25.1 m -136.01 122.86 21.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.462 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -150.07 127.01 11.12 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.48 -52.78 8.52 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.629 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 59.6 p -132.21 -175.32 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.97 0.414 . . . . 0.0 111.11 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.79 69.71 1.32 Allowed Glycine 0 C--O 1.224 -0.483 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . 0.411 ' CZ ' ' OH ' ' D' ' 58' ' ' TYR . 10.2 m-85 30.57 72.14 0.06 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 179.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.24 96.47 0.28 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.88 86.91 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.39 . . . . 0.0 110.434 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.87 143.85 11.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 97.2 p -150.17 164.75 34.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.557 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.38 41.93 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 73.9 m -59.88 -41.12 90.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 52.7 m 49.88 61.67 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.512 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . 0.411 ' OH ' ' CZ ' ' D' ' 50' ' ' TYR . 78.8 m-85 -59.94 -39.59 86.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.38 -150.72 11.77 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.725 0.298 . . . . 0.0 110.778 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 24.4 t -154.29 -69.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.796 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.82 105.01 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.464 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.46 155.03 51.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 111.033 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -134.54 134.13 41.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.758 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.82 -160.37 0.09 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.31 -51.87 13.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.735 0.302 . . . . 0.0 111.03 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.9 -120.6 4.88 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.39 125.42 25.94 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.7 179.97 7.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.952 0.406 . . . . 0.0 111.026 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -117.36 109.44 16.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.682 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.96 173.39 6.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.31 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -43.81 173.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 123.06 2.507 . . . . 0.0 113.504 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' D' ' 75' ' ' TYR . 1.2 tp60 -104.71 -161.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.341 178.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.95 93.05 0.01 OUTLIER Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' D' ' 73' ' ' GLN . 2.4 t80 -178.07 -41.94 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.939 0.399 . . . . 0.0 110.754 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.34 -159.91 2.81 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 27.6 t -97.2 90.77 5.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.737 0.304 . . . . 0.0 110.951 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 65.8 p -64.62 118.83 9.44 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.886 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.89 90.17 0.51 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.34 130.4 1.16 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -90.72 54.57 2.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.983 0.42 . . . . 0.0 110.74 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.46 -70.26 0.33 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 25.1 t -159.7 107.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.438 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.13 85.43 2.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.348 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.13 142.84 44.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -163.58 -175.92 4.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.002 0.43 . . . . 0.0 111.367 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -144.94 139.08 27.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.77 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.82 -170.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.345 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -170.7 166.97 7.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.14 136.92 51.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.398 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -140.1 88.77 2.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.235 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.28 60.12 0.23 Allowed Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.667 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -98.64 115.97 29.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.738 0.304 . . . . 0.0 110.697 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.32 137.03 37.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.95 119.84 21.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 33.4 t 58.52 79.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.542 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.531 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.698 0.285 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 61.8 m -130.28 133.59 46.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.803 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 25.3 m -136.02 122.74 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.46 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.94 127.96 11.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.1 -49.39 10.92 Favored 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 119.11 -1.036 . . . . 0.0 111.888 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 57.0 p -130.93 -175.38 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.066 0.46 . . . . 0.0 111.59 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 69.07 70.64 1.12 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 177.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' E' ' 49' ' ' GLY . 10.9 m-85 27.11 76.64 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.323 0.649 . . . . 0.0 110.953 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.61 93.89 0.27 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 68.97 87.16 0.12 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 15.6 t -162.0 143.86 11.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 99.6 p -149.95 165.14 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.373 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.17 41.9 31.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 110.427 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 74.1 m -59.83 -41.18 90.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.623 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 53.7 m 49.91 61.68 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' E' ' 50' ' ' TYR . 78.6 m-85 -59.99 -39.59 86.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.725 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.41 -150.6 11.65 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.33 26.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.718 0.294 . . . . 0.0 110.755 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 23.9 t -154.27 -69.09 0.14 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.78 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.68 104.2 6.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.694 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -134.98 155.1 51.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.944 0.402 . . . . 0.0 111.019 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -134.57 134.01 40.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.597 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.96 -161.98 0.1 OUTLIER Glycine 0 CA--C 1.524 0.656 0 O-C-N 124.621 1.2 . . . . 0.0 111.03 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.44 -52.36 10.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.641 0.258 . . . . 0.0 110.922 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.14 -120.27 4.75 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -135.8 125.13 24.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.124 0.964 . . . . 0.0 110.795 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -151.09 179.39 8.31 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.297 -0.877 . . . . 0.0 110.755 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 94.5 p -117.71 111.63 19.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.43 173.27 6.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 125.02 1.45 . . . . 0.0 109.771 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -44.53 174.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.504 2.104 0 C-N-CA 122.902 2.401 . . . . 0.0 113.474 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' E' ' 75' ' ' TYR . 1.2 tp60 -104.51 -161.24 0.81 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.607 -1.178 . . . . 0.0 108.468 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.67 91.82 0.01 OUTLIER Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' E' ' 73' ' ' GLN . 2.4 t80 -177.54 -41.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.361 . . . . 0.0 111.09 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.99 -159.66 2.61 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 28.2 t -96.89 89.8 5.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.432 0.158 . . . . 0.0 111.164 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 59.6 p -64.39 119.38 10.24 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.52 89.31 0.49 Allowed Glycine 0 CA--C 1.541 1.684 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.297 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.28 129.54 1.08 Allowed Glycine 0 C--N 1.343 0.933 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -90.34 56.48 3.38 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.677 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -120.6 -69.88 0.29 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 25.6 t -159.86 107.06 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -131.67 84.48 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.07 0.856 . . . . 0.0 110.275 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -135.63 142.3 45.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.68 0.276 . . . . 0.0 110.492 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 16.9 p -163.17 -176.49 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.048 0.452 . . . . 0.0 111.391 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 66.6 m -144.61 139.12 27.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.716 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.86 -170.49 0.57 Allowed 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.448 0.642 . . . . 0.0 111.321 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 88.6 p -169.7 168.34 9.08 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.834 -0.542 . . . . 0.0 111.078 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.69 136.94 51.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.759 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -139.46 88.45 2.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.489 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.38 59.82 0.22 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.566 -0.613 . . . . 0.0 111.566 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -96.49 115.56 27.64 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.992 -0.122 . . . . 0.0 111.157 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.28 137.1 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.828 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.44 119.68 21.95 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.196 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 33.2 t 58.61 79.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.723 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.608 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.676 0.274 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 62.3 m -130.36 133.62 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.753 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 25.4 m -136.16 122.91 21.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.41 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -150.03 127.18 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.718 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.61 -52.78 8.46 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.595 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 59.7 p -132.24 -175.43 3.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.028 0.442 . . . . 0.0 111.042 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.98 69.87 1.29 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . 0.41 ' CZ ' ' OH ' ' F' ' 58' ' ' TYR . 10.2 m-85 30.37 72.02 0.06 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.13 96.42 0.27 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.9 86.86 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.907 0.384 . . . . 0.0 110.425 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.79 143.8 11.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.799 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -150.13 164.79 34.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.35 42.03 30.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.457 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -59.91 -41.04 90.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.662 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 52.9 m 49.73 61.73 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.521 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . 0.41 ' OH ' ' CZ ' ' F' ' 50' ' ' TYR . 78.6 m-85 -59.97 -39.55 86.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.34 -150.69 11.77 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.71 0.29 . . . . 0.0 110.758 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 24.0 t -154.34 -69.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.78 105.02 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.474 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.57 155.1 51.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.918 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -134.63 134.16 40.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.662 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.88 -160.34 0.09 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.38 -51.85 14.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.65 0.262 . . . . 0.0 110.962 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.88 -120.63 4.89 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -135.44 125.41 25.83 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.632 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -150.66 -179.96 7.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 111.026 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 97.4 p -117.32 109.41 16.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.683 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.97 173.37 6.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.327 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -43.8 173.6 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 123.088 2.525 . . . . 0.0 113.474 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' F' ' 75' ' ' TYR . 1.2 tp60 -104.71 -161.67 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.355 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.89 93.13 0.01 OUTLIER Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' F' ' 73' ' ' GLN . 2.4 t80 -178.21 -41.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 110.683 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.33 -159.87 2.81 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 27.9 t -97.23 90.66 5.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.693 0.282 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 65.2 p -64.66 118.91 9.58 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.86 90.12 0.51 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.36 130.36 1.16 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -90.63 54.51 2.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.921 0.391 . . . . 0.0 110.756 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.4 -70.28 0.33 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 25.6 t -159.59 107.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.831 0.348 . . . . 0.0 110.514 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.08 85.5 2.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.24 142.72 44.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.588 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -163.45 -175.86 4.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.017 0.437 . . . . 0.0 111.449 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 66.9 m -145.0 139.09 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.686 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.77 -170.49 0.58 Allowed 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.31 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -170.79 166.93 7.76 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.05 136.97 51.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.46 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.14 88.73 2.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.247 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.29 60.12 0.23 Allowed Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.61 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -98.63 115.94 29.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.741 0.305 . . . . 0.0 110.635 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.35 137.04 36.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.89 119.68 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.479 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.58 79.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.562 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.537 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.706 0.288 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 62.4 m -130.35 133.61 46.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.745 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 25.3 m -135.98 122.82 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.4 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -150.05 127.06 11.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.705 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.55 -52.81 8.43 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.554 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 59.7 p -132.2 -175.33 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.0 0.429 . . . . 0.0 111.135 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.84 69.75 1.31 Allowed Glycine 0 C--O 1.224 -0.514 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' G' ' 58' ' ' TYR . 10.2 m-85 30.64 71.89 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.13 96.43 0.27 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.92 86.89 0.13 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.86 0.362 . . . . 0.0 110.448 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -161.85 143.7 11.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -150.07 164.73 34.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.543 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 42.0 30.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.481 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 73.9 m -59.89 -41.01 90.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.636 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 53.1 m 49.82 61.69 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.485 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' G' ' 50' ' ' TYR . 79.0 m-85 -59.99 -39.47 85.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.804 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.32 -150.7 11.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.35 27.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.689 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 24.1 t -154.34 -69.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.85 105.04 7.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.473 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.59 155.03 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -134.5 134.17 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.704 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.85 -160.34 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.4 -51.92 14.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.682 0.277 . . . . 0.0 110.905 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.88 -120.61 4.88 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.37 125.31 25.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.653 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.59 -179.93 7.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.009 0.433 . . . . 0.0 111.067 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -117.5 109.42 16.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.702 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.91 173.34 6.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.299 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.87 173.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 123.102 2.535 . . . . 0.0 113.47 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' G' ' 75' ' ' TYR . 1.2 tp60 -104.59 -161.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.422 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.83 93.02 0.01 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' G' ' 73' ' ' GLN . 2.4 t80 -178.03 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.983 0.421 . . . . 0.0 110.74 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.3 -159.86 2.79 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 27.8 t -97.29 90.68 5.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.731 0.3 . . . . 0.0 110.915 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 64.9 p -64.67 118.92 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.93 90.21 0.52 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.36 130.36 1.16 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -90.59 54.4 2.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.935 0.398 . . . . 0.0 110.783 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.37 -70.27 0.33 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 25.3 t -159.62 107.15 1.72 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.808 0.337 . . . . 0.0 110.473 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -132.12 85.51 2.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.15 142.82 44.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.612 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -163.52 -175.89 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.075 0.464 . . . . 0.0 111.374 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -144.94 139.12 27.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.724 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.87 -170.55 0.57 Allowed 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.287 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -170.69 166.96 7.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.857 0.361 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.12 136.94 51.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.415 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.12 88.85 2.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.196 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.17 60.06 0.23 Allowed Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.736 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -98.57 116.03 29.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.709 0.29 . . . . 0.0 110.646 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.46 137.13 36.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.9 0.381 . . . . 0.0 110.771 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 119.76 21.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.394 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.54 79.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.62 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.567 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.744 0.306 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -130.36 133.7 46.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.705 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 25.4 m -136.07 122.76 21.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.366 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -149.95 127.23 11.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.68 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.65 -52.81 8.38 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.55 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 59.8 p -132.26 -175.45 3.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.039 0.447 . . . . 0.0 111.008 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.72 1.32 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' H' ' 58' ' ' TYR . 10.4 m-85 30.59 71.94 0.07 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.02 96.45 0.27 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.87 86.84 0.13 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.912 0.387 . . . . 0.0 110.424 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 15.7 t -161.77 143.69 11.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 97.6 p -150.05 164.79 34.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.508 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.39 41.95 30.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.473 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -59.9 -41.01 90.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.619 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 52.8 m 49.71 61.7 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' H' ' 50' ' ' TYR . 78.7 m-85 -60.0 -39.43 85.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.28 -150.7 11.82 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.33 27.16 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.698 0.285 . . . . 0.0 110.744 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 24.2 t -154.38 -69.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.806 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.77 104.97 7.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.5 155.0 51.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 111.01 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 99.6 m -134.61 134.22 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.71 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.91 -160.3 0.09 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.28 -52.01 13.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.657 0.265 . . . . 0.0 110.9 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.89 -120.68 4.91 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.33 125.3 25.8 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.587 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -150.58 -180.0 7.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.992 0.425 . . . . 0.0 111.028 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -117.38 109.52 16.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.682 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.01 173.38 6.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.317 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -43.88 173.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 123.094 2.529 . . . . 0.0 113.467 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' H' ' 75' ' ' TYR . 1.2 tp60 -104.74 -161.61 0.83 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.393 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.02 93.18 0.01 OUTLIER Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' H' ' 73' ' ' GLN . 2.4 t80 -178.04 -42.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.001 0.429 . . . . 0.0 110.707 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.47 -159.79 2.96 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 27.8 t -97.31 90.61 5.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.656 0.265 . . . . 0.0 110.909 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -64.57 119.0 9.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.94 90.25 0.52 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.29 130.39 1.16 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -90.74 54.57 2.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.895 0.379 . . . . 0.0 110.677 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.45 -70.27 0.33 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 25.0 t -159.56 107.11 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.443 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.03 85.51 2.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.378 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -136.22 142.77 44.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.5 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 16.4 p -163.48 -175.93 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.031 0.443 . . . . 0.0 111.429 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 67.2 m -144.9 139.11 27.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.734 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.84 -170.66 0.58 Allowed 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.324 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.6 p -170.55 167.01 8.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.85 0.357 . . . . 0.0 111.088 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.15 137.02 51.91 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.393 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -140.16 88.92 2.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.188 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.1 60.18 0.23 Allowed Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.69 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -98.61 116.0 29.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.683 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.41 137.05 36.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.99 119.82 21.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.59 79.06 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.562 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.516 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.666 0.27 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 62.2 m -130.26 133.57 46.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.734 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 24.7 m -136.09 122.78 21.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.462 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -149.77 128.39 12.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.683 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -52.61 7.94 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.249 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -132.53 -175.38 3.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.987 0.422 . . . . 0.0 111.032 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.02 69.62 1.34 Allowed Glycine 0 C--O 1.224 -0.512 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . 0.408 ' CZ ' ' OH ' ' I' ' 58' ' ' TYR . 10.2 m-85 30.51 73.28 0.05 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.896 0.409 . . . . 0.0 111.974 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.32 96.39 0.33 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 67.81 86.56 0.13 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.818 0.342 . . . . 0.0 110.452 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 16.2 t -161.56 143.82 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.784 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 98.1 p -150.13 164.85 34.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.456 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.28 42.13 30.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -60.05 -41.1 91.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 52.3 m 49.76 61.65 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . 0.408 ' OH ' ' CZ ' ' I' ' 50' ' ' TYR . 78.8 m-85 -59.95 -39.45 85.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.748 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.25 -150.71 11.84 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.686 0.279 . . . . 0.0 110.744 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 24.0 t -154.2 -69.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.378 . . . . 0.0 110.79 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.83 105.07 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.73 155.14 50.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 110.796 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.6 m -134.45 134.48 41.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.694 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.21 -160.11 0.1 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.53 -51.65 15.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.431 0.157 . . . . 0.0 110.853 -179.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.7 -120.82 4.97 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 19.5 p -135.09 126.49 28.49 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.475 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -151.87 179.83 8.1 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.875 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 97.2 p -117.3 109.99 17.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.622 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.35 173.06 7.01 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.197 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -44.3 174.22 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.957 2.438 . . . . 0.0 113.421 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' I' ' 75' ' ' TYR . 1.2 tp60 -104.65 -161.43 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.56 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.87 93.25 0.01 OUTLIER Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' I' ' 73' ' ' GLN . 2.5 t80 -177.68 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.014 0.435 . . . . 0.0 110.444 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.24 -159.23 3.89 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 27.6 t -97.91 90.49 4.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.617 0.246 . . . . 0.0 110.724 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 62.6 p -64.27 118.94 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.81 90.34 0.52 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.25 130.51 1.17 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -90.75 55.19 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.337 . . . . 0.0 110.61 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.73 -70.12 0.32 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 24.3 t -159.76 107.18 1.69 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 0.0 110.429 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -132.03 85.66 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.272 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.24 142.59 44.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.528 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 16.5 p -163.44 -176.57 4.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.386 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 66.7 m -144.24 139.12 28.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.809 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.04 -171.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.291 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -169.8 167.13 9.44 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.935 0.398 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -127.96 136.84 51.87 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.517 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -140.37 89.47 2.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.051 0.453 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.7 60.61 0.24 Allowed Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.67 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -98.56 115.83 29.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.727 0.299 . . . . 0.0 110.724 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.39 137.05 36.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.787 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.85 119.77 21.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.381 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.54 79.05 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.64 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.59 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.774 0.321 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -141.08 143.88 34.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.523 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -144.65 143.31 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.779 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -146.88 146.72 30.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.045 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.99 -52.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.186 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.1 t -134.57 129.45 35.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.677 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.98 76.23 0.87 Allowed Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.282 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 31.28 69.9 0.09 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.05 0.5 . . . . 0.0 112.217 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.65 95.22 0.45 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 67.2 94.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.445 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -159.11 160.1 35.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.239 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.8 m -133.41 138.89 46.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.809 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 48.78 29.73 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.791 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.36 152.58 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.349 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.4 m 49.16 38.11 12.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.61 134.21 56.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.676 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.22 -177.44 38.26 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.52 -35.0 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 110.41 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.9 m -128.46 148.13 50.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.411 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.81 55.87 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.47 113.02 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.633 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -119.92 131.85 55.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.04 -161.39 0.19 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -51.7 12.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.935 0.398 . . . . 0.0 111.132 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.39 -119.88 4.59 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.7 p -116.75 110.56 18.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.034 0.445 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.87 160.26 41.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.36 122.89 42.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.571 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.71 170.47 15.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.914 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.39 106.24 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.323 2.015 . . . . 0.0 112.974 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -69.18 113.47 6.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.46 -85.63 0.39 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -116.27 108.05 15.62 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.275 0.559 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.54 -86.1 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.85 173.82 14.77 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.513 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.9 p -136.35 166.88 22.43 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.467 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.11 -134.83 1.61 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.05 -93.61 2.22 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -49.08 165.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 79.94 59.86 2.53 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 82' ' ' GLY . 68.2 m -22.72 126.12 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 124.619 0.835 . . . . 0.0 112.146 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.8 p -103.06 107.48 18.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.114 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.26 103.03 9.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.992 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.2 m -140.39 156.99 46.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.021 0.438 . . . . 0.0 111.245 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.88 134.83 33.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.016 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.5 -176.25 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.955 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.6 p -169.09 160.52 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.6 t -164.06 144.2 8.16 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -145.93 73.08 1.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.257 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.29 53.03 0.09 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -97.36 112.17 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.712 0.291 . . . . 0.0 110.801 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.85 120.59 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.552 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.42 131.74 42.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.429 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.8 m 56.25 49.48 15.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.515 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.55 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.808 0.337 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.92 143.77 34.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.672 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.59 142.98 30.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.788 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -146.47 146.33 30.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.266 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.05 -52.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.34 129.87 36.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.615 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 109.21 78.89 1.07 Allowed Glycine 0 C--O 1.222 -0.61 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.854 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' B' ' 49' ' ' GLY . 9.4 m-85 28.41 70.61 0.06 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 95.29 0.47 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.24 94.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.362 . . . . 0.0 110.46 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.2 p -159.24 160.0 34.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 59.0 m -133.41 138.92 46.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.689 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.815 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.24 152.65 44.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.34 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.16 38.13 12.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.62 134.21 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.711 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.13 -177.08 37.95 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.9 -35.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.322 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 63.9 m -128.54 148.05 50.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.375 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.92 55.83 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.517 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.55 113.09 24.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.613 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -119.87 131.93 55.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.07 -161.22 0.19 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -51.67 13.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.715 0.293 . . . . 0.0 111.056 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.45 -119.92 4.6 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.61 110.4 18.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.515 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.74 160.37 40.85 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 74.8 m -119.37 122.89 42.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.604 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.75 170.25 16.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.902 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 53.0 Cg_exo -53.4 104.44 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.417 2.078 . . . . 0.0 113.249 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -67.21 113.75 5.4 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.5 -85.65 0.39 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.03 108.12 15.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.967 0.413 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.77 -85.67 0.03 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.76 174.16 14.33 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.507 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 81.6 p -136.43 167.47 21.28 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.398 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.64 -134.77 1.8 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.02 -93.61 2.22 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.02 164.92 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' B' ' 83' ' ' SER . . . 79.71 60.51 2.45 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' SER . . . . . 0.422 ' C ' ' O ' ' B' ' 82' ' ' GLY . 68.2 m -23.35 126.25 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 O-C-N 124.53 0.782 . . . . 0.0 112.114 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 60.6 p -103.13 107.55 18.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.071 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.23 102.99 9.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.949 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 63.7 m -140.28 157.06 46.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.96 0.41 . . . . 0.0 111.226 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.89 134.79 33.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.041 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.45 -176.26 5.68 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.052 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -169.01 160.39 9.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.559 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 38.1 t -163.93 144.22 8.36 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.209 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.17 74.68 1.38 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.062 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.74 52.98 0.08 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.33 112.05 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.801 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.81 120.7 31.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.544 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.53 131.72 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.383 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 61.2 m 56.17 49.56 15.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.557 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.5 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.829 0.347 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.92 143.76 34.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.587 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.63 142.95 30.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.744 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -146.42 146.31 30.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.249 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.1 -52.64 1.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.208 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -134.33 129.95 36.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.624 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 109.14 79.03 1.09 Allowed Glycine 0 C--O 1.222 -0.601 0 C-N-CA 120.346 -0.93 . . . . 0.0 111.887 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' C' ' 49' ' ' GLY . 9.4 m-85 28.28 70.65 0.06 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 95.15 0.47 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.31 94.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 110.374 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -159.23 160.0 34.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.287 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 58.6 m -133.38 138.89 46.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.798 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.86 29.63 2.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.771 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.23 152.56 44.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.391 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m 49.21 38.14 12.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -62.69 134.27 56.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.696 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.1 -176.98 37.86 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -135.94 -35.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.355 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 63.4 m -128.48 148.15 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.385 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.8 55.86 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.53 113.08 24.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.641 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -119.77 131.98 55.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.26 -161.19 0.2 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -51.61 13.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.745 0.307 . . . . 0.0 111.099 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.45 -119.89 4.59 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.65 110.39 18.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.493 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -143.76 160.39 40.82 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.41 122.84 42.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.68 170.27 16.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.926 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . 0.405 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 52.8 Cg_exo -53.5 104.21 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.469 2.113 . . . . 0.0 113.286 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.94 113.75 5.21 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.307 0.379 . . . . 0.0 110.121 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.65 -85.83 0.39 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.02 108.35 16.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.422 . . . . 0.0 110.747 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.86 -85.67 0.03 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.71 174.21 14.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.53 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 81.5 p -136.45 167.54 21.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.64 -134.76 1.8 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.04 -93.52 2.22 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.13 164.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' C' ' 83' ' ' SER . . . 79.68 60.68 2.42 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 83' ' ' SER . . . . . 0.423 ' C ' ' O ' ' C' ' 82' ' ' GLY . 68.6 m -23.48 126.26 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.675 0 O-C-N 124.492 0.76 . . . . 0.0 112.072 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 60.4 p -103.14 107.59 18.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.074 -178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -117.33 102.92 9.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.971 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 63.3 m -140.14 157.01 46.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 111.302 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.85 134.93 33.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.986 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.5 -176.32 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.996 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 90.2 p -168.91 160.53 10.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 38.2 t -163.99 144.21 8.27 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.276 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.25 74.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.043 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.67 53.02 0.08 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.32 112.07 24.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.92 120.62 30.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.499 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.5 131.7 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.415 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m 56.21 49.58 15.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.513 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.587 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.818 0.342 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.96 143.71 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.627 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -144.57 142.95 30.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -146.42 146.31 30.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.189 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.01 -52.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.13 130.03 36.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.67 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 109.16 78.92 1.08 Allowed Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.326 -0.94 . . . . 0.0 111.886 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' D' ' 49' ' ' GLY . 9.4 m-85 28.36 70.67 0.06 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.97 95.18 0.47 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.35 94.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.458 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 86.7 p -159.22 159.97 34.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 59.2 m -133.39 138.99 46.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.74 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.87 29.54 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.789 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 83.7 p -69.2 152.58 44.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.415 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.19 38.17 12.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.72 134.26 56.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.679 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -176.92 37.81 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -136.0 -35.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.905 0.383 . . . . 0.0 110.335 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 63.7 m -128.43 148.17 50.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.78 55.8 8.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.582 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.45 113.19 25.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.687 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -120.02 131.96 55.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.07 -161.22 0.19 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -51.63 13.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.655 0.264 . . . . 0.0 111.059 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.43 -119.85 4.58 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -116.65 110.31 18.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.557 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.7 160.4 40.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.924 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.42 122.86 42.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.73 170.31 16.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.901 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 52.7 Cg_exo -53.5 104.07 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.548 2.165 . . . . 0.0 113.343 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.77 113.71 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.328 0.393 . . . . 0.0 110.187 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.56 -85.79 0.39 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.09 108.13 15.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.97 0.414 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.65 -85.69 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 88.5 p -160.7 174.19 14.32 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 122.421 -0.458 . . . . 0.0 111.633 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 81.1 p -136.36 167.39 21.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.749 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.56 -135.02 1.81 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.536 -1.025 . . . . 0.0 110.536 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -101.83 -93.87 2.21 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -48.83 165.0 0.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' D' ' 83' ' ' SER . . . 79.62 60.71 2.42 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 83' ' ' SER . . . . . 0.424 ' C ' ' O ' ' D' ' 82' ' ' GLY . 67.8 m -23.48 126.23 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 124.547 0.793 . . . . 0.0 112.151 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 60.3 p -103.15 107.52 18.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.016 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -117.33 102.99 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.944 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 64.2 m -140.3 156.97 46.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 111.271 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 42.5 t -138.75 134.89 34.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.983 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.49 -176.25 5.67 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.101 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 90.5 p -168.96 160.43 10.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.522 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 37.9 t -163.94 144.29 8.37 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.185 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -146.31 75.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.988 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 53.0 0.08 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.31 112.1 24.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.91 120.64 30.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.479 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.48 131.75 42.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.409 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m 56.19 49.59 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.52 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.592 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.804 0.335 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -140.44 143.71 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.44 143.24 30.8 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.824 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -146.05 146.54 30.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.367 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.8 -50.47 1.95 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.179 178.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 35.6 t -131.17 128.3 39.75 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.88 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.84 72.1 0.63 Allowed Glycine 0 C--O 1.216 -0.972 0 C-N-CA 117.872 -2.108 . . . . 0.0 113.327 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' E' ' 49' ' ' GLY . 10.3 m-85 28.27 75.5 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.382 0.61 . . . . 0.0 111.065 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.6 92.85 0.53 Allowed Glycine 0 CA--C 1.519 0.322 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 68.27 94.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.371 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -159.3 160.0 34.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 59.3 m -133.24 139.27 46.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.57 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.76 29.46 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.699 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.25 152.55 44.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.365 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m 49.23 38.12 12.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.68 134.27 56.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.672 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.14 -177.04 37.93 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.92 -35.13 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.378 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 62.8 m -128.5 148.1 50.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.395 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 52.35 56.73 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.414 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -95.13 113.62 25.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.488 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -120.15 131.79 55.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.57 -162.22 0.19 Allowed Glycine 0 CA--C 1.526 0.758 0 O-C-N 123.973 0.796 . . . . 0.0 111.211 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.52 -51.92 11.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.7 0.286 . . . . 0.0 111.087 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.31 -119.74 4.55 Favored Glycine 0 N--CA 1.466 0.673 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.81 109.96 17.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.785 0.326 . . . . 0.0 110.544 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.55 160.5 40.51 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.806 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 75.6 m -119.76 123.73 44.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.42 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.4 170.11 17.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 O-C-N 124.216 0.948 . . . . 0.0 109.675 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . 0.415 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 51.3 Cg_exo -54.77 108.06 0.27 Allowed 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.534 1.489 . . . . 0.0 112.36 -177.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -69.3 114.56 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.841 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.92 -85.85 0.39 Allowed Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -115.58 106.11 13.55 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.603 0.239 . . . . 0.0 111.362 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.74 -84.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.671 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -161.18 174.27 13.89 Favored 'General case' 0 CA--C 1.527 0.058 0 CA-C-N 117.266 0.533 . . . . 0.0 111.471 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 81.5 p -136.46 167.05 22.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.55 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.72 -133.63 1.63 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -103.34 -91.82 2.21 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.208 -0.996 . . . . 0.0 111.53 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -50.09 164.14 0.12 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.321 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' E' ' 83' ' ' SER . . . 84.74 53.96 3.06 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 118.396 -1.859 . . . . 0.0 110.584 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 83' ' ' SER . . . . . 0.441 ' C ' ' O ' ' E' ' 82' ' ' GLY . 66.9 m -20.79 125.95 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 O-C-N 124.148 0.557 . . . . 0.0 112.368 -177.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 58.5 p -103.14 106.21 16.68 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.77 -177.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -116.44 101.98 9.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.332 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 64.3 m -140.04 156.73 46.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.935 0.397 . . . . 0.0 111.084 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.78 134.8 33.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.037 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.53 -176.31 5.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.065 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 90.8 p -168.6 160.37 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.465 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 38.3 t -162.96 144.62 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.307 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.09 74.83 1.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.273 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.98 52.54 0.08 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -96.25 111.93 23.83 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.984 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.83 120.7 31.22 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.18 0.3 . . . . 0.0 110.537 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.2 131.65 42.37 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.465 0.478 . . . . 0.0 110.07 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 62.1 m 56.38 49.5 14.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.67 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.542 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.794 0.33 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -140.98 143.79 34.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.63 142.97 30.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -146.38 146.32 30.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.265 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.05 -52.78 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.13 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 40.7 t -134.26 129.75 36.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.625 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 109.3 79.16 1.09 Allowed Glycine 0 CA--C 1.523 0.539 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.928 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' F' ' 49' ' ' GLY . 9.4 m-85 28.01 70.86 0.06 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 178.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.02 95.21 0.48 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.24 94.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 110.417 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 86.2 p -159.19 159.94 34.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -133.32 138.92 46.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.81 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.25 152.6 44.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.363 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m 49.25 38.11 12.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.493 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.69 134.26 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.658 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -177.02 37.9 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -136.0 -35.1 0.78 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.881 0.372 . . . . 0.0 110.377 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -128.39 148.14 50.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.456 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.86 55.87 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.527 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.6 113.11 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -119.81 132.07 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.24 -161.12 0.19 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -51.75 13.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.727 0.298 . . . . 0.0 111.08 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.6 -119.95 4.6 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.6 110.45 18.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.322 . . . . 0.0 110.519 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.74 160.43 40.73 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.938 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.5 122.85 42.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.67 170.36 16.27 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.819 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.48 104.18 0.1 Allowed 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.491 2.127 . . . . 0.0 113.294 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.86 113.68 5.11 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.237 0.335 . . . . 0.0 110.114 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.59 -85.94 0.39 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.51 108.08 15.99 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.86 -85.58 0.03 OUTLIER Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.77 174.18 14.29 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.498 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 81.4 p -136.46 167.56 21.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.451 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.73 -134.71 1.82 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.05 -93.59 2.22 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -48.95 164.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' F' ' 83' ' ' SER . . . 79.58 60.66 2.44 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 83' ' ' SER . . . . . 0.426 ' C ' ' O ' ' F' ' 82' ' ' GLY . 68.9 m -23.49 126.28 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.54 0.788 . . . . 0.0 112.097 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 60.7 p -103.07 107.53 18.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.153 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.33 102.93 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.952 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 63.6 m -140.23 157.02 46.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.03 0.443 . . . . 0.0 111.292 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.79 134.89 34.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.996 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.48 -176.2 5.64 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.027 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 89.4 p -169.03 160.41 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.568 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 38.3 t -163.83 144.26 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.292 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.24 74.98 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.976 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 52.92 0.08 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.31 112.06 24.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.87 120.61 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.527 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.48 131.71 41.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 61.7 m 56.27 49.55 15.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.509 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.581 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.817 0.341 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -140.89 143.72 34.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.602 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -144.57 142.99 30.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.837 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -146.45 146.28 30.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.256 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.01 -52.76 1.97 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.179 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -134.28 129.89 36.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.613 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 109.14 78.97 1.08 Allowed Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.945 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' G' ' 49' ' ' GLY . 9.4 m-85 28.39 70.68 0.06 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.9 95.15 0.47 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 67.25 94.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -159.2 159.98 34.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.232 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 58.6 m -133.38 138.97 46.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.79 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.818 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.26 152.56 44.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m 49.21 38.2 12.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.518 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.71 134.22 55.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.72 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.08 -176.96 37.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.94 -35.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.916 0.388 . . . . 0.0 110.345 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 62.7 m -128.39 148.1 50.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.463 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.8 55.86 8.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.48 113.08 24.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.695 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -119.82 131.97 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.21 -161.18 0.19 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.09 -51.75 13.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.727 0.298 . . . . 0.0 111.027 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.54 -119.91 4.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.64 110.41 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.73 160.5 40.61 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.92 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.47 122.86 42.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.536 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.72 170.27 16.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.904 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.41 104.1 0.1 OUTLIER 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.449 2.099 . . . . 0.0 113.35 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -66.9 113.8 5.23 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.281 0.363 . . . . 0.0 110.08 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.64 -85.73 0.39 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.06 108.21 15.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.72 -85.71 0.03 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.74 174.26 14.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.521 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 81.7 p -136.5 167.62 21.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.438 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.7 -134.82 1.83 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.01 -93.54 2.21 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.0 164.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' G' ' 83' ' ' SER . . . 79.74 60.57 2.43 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -179.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 83' ' ' SER . . . . . 0.428 ' C ' ' O ' ' G' ' 82' ' ' GLY . 68.2 m -23.36 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.473 0.749 . . . . 0.0 112.102 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 59.9 p -103.25 107.57 18.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.079 -178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.32 102.97 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.931 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 64.4 m -140.21 156.95 46.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.942 0.401 . . . . 0.0 111.263 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.75 134.84 34.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.069 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.45 -176.2 5.64 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.136 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -169.04 160.45 9.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.592 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 37.7 t -163.92 144.21 8.37 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.216 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.21 75.08 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.974 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.52 53.0 0.08 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.36 112.13 24.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 110.78 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.9 120.57 30.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.511 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.42 131.77 42.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.424 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 62.0 m 56.25 49.49 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.563 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.793 0.33 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -140.91 143.71 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.51 142.9 30.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.819 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -146.41 146.28 30.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.307 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.13 -52.67 1.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.32 129.9 36.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.661 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 109.21 78.92 1.07 Allowed Glycine 0 CA--C 1.524 0.632 0 C-N-CA 120.373 -0.918 . . . . 0.0 111.939 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' H' ' 49' ' ' GLY . 9.5 m-85 28.3 70.71 0.06 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.93 95.24 0.47 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.22 94.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.93 0.395 . . . . 0.0 110.395 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 86.4 p -159.21 159.98 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.262 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -133.33 138.94 46.58 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.797 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.76 29.65 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.83 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.27 152.52 44.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.443 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m 49.21 38.26 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.541 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.8 134.27 56.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -177.02 37.89 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.96 -35.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.401 . . . . 0.0 110.384 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 62.8 m -128.43 148.16 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.405 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.83 55.8 8.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.51 113.08 24.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -119.84 132.04 55.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.595 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.24 -161.11 0.19 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.1 -51.76 13.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.792 0.33 . . . . 0.0 111.043 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.49 -119.97 4.61 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -116.64 110.3 18.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.71 160.48 40.63 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.41 122.89 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.521 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.77 170.22 16.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.876 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.44 104.19 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.477 2.118 . . . . 0.0 113.218 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -66.93 113.75 5.2 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.264 0.353 . . . . 0.0 110.14 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.68 -85.83 0.39 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.9 108.27 16.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.87 0.366 . . . . 0.0 110.78 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.95 -85.44 0.03 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 88.5 p -160.87 174.24 14.15 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.461 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 81.6 p -136.49 167.6 21.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.436 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.71 -134.75 1.82 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.02 -93.66 2.22 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.06 164.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' H' ' 83' ' ' SER . . . 79.8 60.49 2.44 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 83' ' ' SER . . . . . 0.427 ' C ' ' O ' ' H' ' 82' ' ' GLY . 68.7 m -23.43 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 O-C-N 124.509 0.77 . . . . 0.0 112.074 -179.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 60.0 p -103.16 107.53 18.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.079 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -117.28 102.99 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.0 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 63.3 m -140.25 157.0 46.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.013 0.435 . . . . 0.0 111.23 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 42.7 t -138.83 134.79 33.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.054 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.46 -176.29 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.076 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -168.94 160.43 10.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.576 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 38.2 t -163.89 144.26 8.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.306 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -146.29 75.19 1.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.015 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.37 52.97 0.08 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.27 112.03 24.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.297 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.84 120.63 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.515 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.47 131.76 42.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 61.3 m 56.19 49.55 15.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.552 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.546 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.767 0.318 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -140.97 143.51 34.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.598 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 8.9 t -144.49 142.7 30.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -146.48 145.39 30.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.376 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -121.43 -53.04 2.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 42.1 t -133.99 130.16 37.21 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.614 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 109.18 78.92 1.08 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.87 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' I' ' 49' ' ' GLY . 9.3 m-85 28.14 72.18 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.16 95.24 0.57 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 67.27 94.07 0.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.52 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -158.75 160.12 35.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 59.2 m -133.42 138.96 46.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.773 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 48.77 29.6 2.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.827 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.24 152.62 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.371 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.18 38.19 12.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -62.66 134.28 56.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.26 -176.94 37.92 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.96 -35.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.373 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 63.3 m -128.4 148.16 50.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.43 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 52.8 55.83 8.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.591 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.55 113.12 24.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 95.8 m -119.73 132.13 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.37 -161.04 0.2 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.27 -51.56 14.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.569 0.223 . . . . 0.0 110.982 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.39 -120.14 4.68 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 16.5 p -116.45 110.43 18.62 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.492 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.87 160.48 40.71 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.767 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.4 123.33 43.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.453 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 170.22 16.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.713 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.58 104.32 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.57 2.18 . . . . 0.0 112.976 -178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -66.96 114.29 5.65 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.48 -85.87 0.39 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -115.7 108.54 16.5 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.77 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.85 -85.15 0.03 OUTLIER Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 89.4 p -160.96 174.22 14.12 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.052 0.453 . . . . 0.0 111.496 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 82.4 p -136.2 168.35 19.56 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.48 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.18 -134.27 1.9 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.38 -92.85 2.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -49.91 164.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' I' ' 83' ' ' SER . . . 79.92 60.61 2.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 83' ' ' SER . . . . . 0.422 ' C ' ' O ' ' I' ' 82' ' ' GLY . 69.2 m -23.34 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.531 0.783 . . . . 0.0 112.121 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 59.9 p -103.04 107.47 18.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.124 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.24 102.85 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.05 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 63.8 m -140.21 156.91 46.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.976 0.417 . . . . 0.0 111.275 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.67 134.83 34.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.046 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.62 -176.93 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.041 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 89.6 p -168.29 160.56 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 38.5 t -163.89 144.61 8.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.957 0.408 . . . . 0.0 111.302 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -146.71 76.36 1.43 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.55 52.98 0.07 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -97.25 111.9 23.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.813 0.34 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.88 120.59 30.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.39 131.75 42.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.407 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 61.4 m 56.22 49.54 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.51 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.602 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.767 0.318 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.0 p -78.61 160.63 27.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.051 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 t -144.35 138.98 28.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.657 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -150.71 129.04 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.274 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.12 -52.57 7.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.973 0.416 . . . . 0.0 111.467 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.3 t -132.1 -160.3 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.117 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.94 51.96 31.33 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.456 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 54.74 -175.38 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.88 -59.95 0.81 Allowed Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.148 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.63 -70.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.659 0.266 . . . . 0.0 111.157 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.0 t -109.67 147.71 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.748 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.44 134.25 32.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.662 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.74 152.98 43.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.44 -167.25 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.627 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.35 153.67 28.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -74.29 -33.54 63.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.414 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.1 -169.6 42.39 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.36 135.11 52.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.682 0.277 . . . . 0.0 110.425 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -161.9 -169.56 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.934 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.13 115.3 19.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.368 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -94.28 101.98 13.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.64 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.8 m -121.94 130.44 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.19 -159.44 0.06 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.85 43.16 0.48 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.84 -112.29 0.56 Allowed Glycine 0 C--N 1.338 0.687 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.5 p -130.69 123.81 30.17 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -147.73 168.27 22.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.36 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -133.76 116.18 15.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.87 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.91 162.69 48.98 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -27.83 104.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.14 0 C-N-CA 124.394 3.396 . . . . 0.0 114.814 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -61.45 111.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.535 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.58 105.5 0.37 Allowed Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.6 t80 69.86 92.67 0.08 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.172 0.511 . . . . 0.0 111.318 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.79 -94.17 0.36 Allowed Glycine 0 CA--C 1.526 0.749 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.404 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.8 155.18 18.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 111.018 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.402 ' OG1' ' CZ ' ' B' ' 75' ' ' TYR . 11.9 m -119.93 108.6 14.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.444 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.57 113.33 2.17 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.0 92.73 0.36 Allowed Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -58.86 -166.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.66 0.267 . . . . 0.0 110.585 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.54 -46.8 2.56 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.22 127.49 0.02 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.811 0.338 . . . . 0.0 110.647 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.7 m -148.79 97.87 2.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.114 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.96 120.57 31.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.697 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.5 t -138.69 154.06 48.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.001 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.1 p -138.57 146.32 41.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.099 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -174.27 -172.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.005 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.5 t -172.41 160.64 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.63 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.6 t -163.01 143.82 9.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.973 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -145.95 79.72 1.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.024 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 164.29 55.41 0.02 OUTLIER Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -97.99 116.77 30.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.758 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.57 132.78 42.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.736 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.84 125.44 25.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.665 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.3 m 51.93 34.42 13.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.613 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.794 0.33 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 96.5 p -78.86 160.65 27.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 12.9 t -144.33 139.13 28.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.681 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -150.92 129.02 11.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.586 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.31 -52.77 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.376 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.79 -159.77 0.99 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.109 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.35 53.48 25.1 Favored Glycine 0 C--O 1.223 -0.586 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.25 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.13 -175.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.133 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.78 -60.02 0.81 Allowed Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.061 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -151.64 -70.89 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 111.109 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -109.48 147.66 32.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.7 t -139.41 134.26 32.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.619 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.8 153.04 43.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.49 -167.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.608 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.5 p -80.41 153.61 28.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -74.33 -33.52 63.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.414 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.01 -169.58 42.51 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.46 135.21 52.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 91.6 p -161.78 -169.02 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.03 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.68 115.32 19.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.251 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.38 102.01 13.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -121.79 130.8 53.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.59 -159.35 0.07 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.86 44.09 0.53 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.21 -112.17 0.48 Allowed Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 71.4 p -130.66 123.66 29.88 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.58 168.75 21.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.136 0.493 . . . . 0.0 111.259 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 40.5 t -134.05 116.09 15.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.823 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.1 162.55 48.9 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -27.6 102.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.194 0 C-N-CA 124.713 3.609 . . . . 0.0 115.1 -178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -59.18 111.97 1.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.931 0.396 . . . . 0.0 110.02 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.23 106.07 0.33 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.402 ' CZ ' ' OG1' ' A' ' 78' ' ' THR . 1.6 t80 69.81 92.66 0.08 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.914 0.388 . . . . 0.0 111.219 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.66 -94.19 0.35 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 85.6 p -91.6 155.23 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 111.094 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.404 ' OG1' ' CZ ' ' C' ' 75' ' ' TYR . 12.2 m -119.65 108.48 14.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.5 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.39 113.24 2.16 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.21 92.7 0.35 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -58.99 -166.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.742 0.306 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.78 -46.6 2.51 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.1 127.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.801 0.334 . . . . 0.0 110.671 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.79 97.82 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.105 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -125.01 120.16 30.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.347 . . . . 0.0 110.695 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 27.2 t -138.13 154.17 49.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.54 146.22 41.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.169 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.15 -172.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.089 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.4 160.54 4.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.592 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 30.5 t -162.97 143.81 9.57 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.216 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -146.04 80.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.966 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.42 55.52 0.02 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.93 116.63 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.59 132.87 42.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.734 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.9 125.4 25.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.689 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m 51.9 34.44 13.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.53 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.838 0.351 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 96.3 p -78.91 160.63 27.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 12.9 t -144.26 139.08 28.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.687 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.9 129.0 11.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.581 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.28 -52.62 7.12 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.518 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.91 -159.77 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.105 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.21 53.53 25.41 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.27 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.17 -176.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.162 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.62 -59.97 0.82 Allowed Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.074 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -151.69 -70.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.154 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -109.51 147.71 32.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.46 134.26 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.641 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -124.76 152.95 43.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.48 -167.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.626 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 88.0 p -80.42 153.66 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -74.28 -33.61 63.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.468 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.08 -169.59 42.41 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.4 135.22 52.84 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.395 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -161.76 -169.0 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.69 115.28 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.335 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.46 102.1 14.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.589 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 96.2 m -121.72 130.88 53.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.49 -159.25 0.07 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.96 44.08 0.54 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.15 -112.15 0.48 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 69.4 p -130.75 123.63 29.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.5 168.81 20.96 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.321 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.08 116.16 15.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.811 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.07 162.47 49.23 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.334 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_exo -27.46 102.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.231 0 C-N-CA 124.621 3.547 . . . . 0.0 115.191 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -58.81 112.07 1.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.313 0.383 . . . . 0.0 109.987 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.04 106.11 0.32 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . 0.404 ' CZ ' ' OG1' ' B' ' 78' ' ' THR . 1.7 t80 69.76 92.74 0.08 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.989 0.423 . . . . 0.0 111.208 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.67 -94.11 0.35 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.66 155.24 18.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 0.0 110.966 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.403 ' OG1' ' CZ ' ' D' ' 75' ' ' TYR . 12.6 m -119.67 108.55 14.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.431 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.37 113.38 2.2 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.09 92.68 0.36 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -59.0 -167.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.801 0.334 . . . . 0.0 110.482 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 -46.73 2.47 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.16 127.56 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.885 0.374 . . . . 0.0 110.641 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.82 97.82 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.112 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.97 120.11 30.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.716 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -138.1 154.12 49.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.047 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 90.7 p -138.48 146.22 41.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.169 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.18 -172.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.096 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 46.3 t -172.33 160.47 4.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.652 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.86 143.84 9.77 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.178 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.1 81.04 1.58 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.976 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.33 55.52 0.02 OUTLIER Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -98.01 116.61 30.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.705 0.288 . . . . 0.0 110.773 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.47 132.9 43.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.705 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.95 125.38 25.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.691 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m 51.9 34.47 13.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.703 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.562 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.782 0.325 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 96.3 p -78.94 160.76 27.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.41 139.03 28.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.764 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.86 128.95 11.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.27 -52.8 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.328 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.73 -159.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.208 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.28 53.38 25.91 Favored Glycine 0 C--O 1.224 -0.488 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.269 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.12 -176.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.211 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.48 -60.16 0.82 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.079 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -151.57 -70.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.685 0.279 . . . . 0.0 111.165 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -109.53 147.66 32.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.808 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.46 134.22 32.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.623 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.81 153.0 43.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.407 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.56 -167.0 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.666 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.51 153.68 28.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -74.3 -33.55 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.443 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.99 -169.64 42.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.38 135.23 52.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.686 0.279 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 92.4 p -161.83 -169.01 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.942 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.73 115.32 19.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.232 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.5 102.11 14.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.62 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.78 130.84 53.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -159.31 0.07 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.97 44.3 0.55 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.04 -112.04 0.45 Allowed Glycine 0 C--N 1.338 0.646 0 N-CA-C 111.617 -0.593 . . . . 0.0 111.617 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 69.1 p -130.83 123.63 29.51 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.57 168.78 21.1 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.358 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.01 116.11 15.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.817 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.11 162.45 49.2 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.413 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -27.46 102.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.229 0 C-N-CA 124.658 3.572 . . . . 0.0 115.219 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -58.82 112.01 1.49 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.07 106.04 0.32 Allowed Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . 0.403 ' CZ ' ' OG1' ' C' ' 78' ' ' THR . 1.7 t80 69.89 92.65 0.08 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.861 0.362 . . . . 0.0 111.233 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.65 -94.28 0.35 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 86.0 p -91.49 155.21 18.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 0.0 110.999 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 78' ' ' THR . . . . . 0.408 ' OG1' ' CZ ' ' E' ' 75' ' ' TYR . 12.2 m -119.57 108.49 14.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.585 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.38 113.33 2.19 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.14 92.67 0.36 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -58.9 -167.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.56 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.94 -46.73 2.47 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.14 127.54 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.898 0.38 . . . . 0.0 110.63 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.72 97.84 2.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.069 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.97 120.19 30.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.711 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 27.0 t -138.17 154.1 49.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 90.5 p -138.4 146.25 41.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.134 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.19 -172.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.079 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.39 160.63 4.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.651 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t -162.96 143.86 9.62 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.21 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.11 81.18 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.984 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.23 55.54 0.02 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.93 116.55 30.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.691 0.281 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -132.52 132.87 43.09 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.671 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.91 125.37 25.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.662 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m 51.93 34.48 13.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.698 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.504 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.806 0.336 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 95.5 p -78.87 160.52 27.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 13.1 t -144.31 138.61 28.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.741 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -150.13 129.81 13.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.61 -49.41 8.58 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.785 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 10.3 t -130.77 -159.17 0.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.718 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.55 48.28 44.63 Favored Glycine 0 C--O 1.219 -0.835 0 C-N-CA 118.848 -1.644 . . . . 0.0 111.876 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 55.4 -175.61 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.572 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.06 -57.47 0.81 Allowed Glycine 0 CA--C 1.519 0.322 0 C-N-CA 119.724 -1.226 . . . . 0.0 111.261 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -152.23 -74.15 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -108.54 147.21 32.08 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.859 0.725 . . . . 0.0 110.144 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.03 134.52 33.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.799 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.7 153.11 42.84 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.65 0.594 . . . . 0.0 110.482 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.6 -167.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.585 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 87.9 p -80.43 153.63 28.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.25 -33.58 63.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.466 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.01 -169.57 42.51 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.39 135.27 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.695 0.284 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 93.3 p -161.89 -169.04 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.938 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.63 115.12 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.358 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -94.31 101.81 13.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.733 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -121.5 130.58 53.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.646 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.14 -161.82 0.07 OUTLIER Glycine 0 CA--C 1.525 0.673 0 O-C-N 124.217 0.948 . . . . 0.0 111.322 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.32 45.31 0.55 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.426 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.0 -112.27 0.48 Allowed Glycine 0 N--CA 1.47 0.901 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 71.2 p -131.05 123.12 28.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.147 0.499 . . . . 0.0 109.929 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.52 168.61 21.5 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.115 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 40.0 t -134.21 117.06 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.564 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.27 162.93 47.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.245 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -31.93 107.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.588 2.859 . . . . 0.0 114.104 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -61.75 114.09 3.12 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.254 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.47 104.81 0.29 Allowed Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . 0.408 ' CZ ' ' OG1' ' D' ' 78' ' ' THR . 1.6 t80 71.94 90.24 0.09 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.607 178.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.47 -92.16 0.38 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 120.594 -0.813 . . . . 0.0 111.934 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 85.3 p -92.53 154.78 18.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 111.035 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 78' ' ' THR . . . . . 0.403 ' OG1' ' CZ ' ' F' ' 75' ' ' TYR . 11.6 m -119.24 107.62 13.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.782 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.88 113.27 2.23 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.11 92.0 0.34 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -58.67 -165.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.59 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.12 -44.42 2.82 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 169.71 127.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.282 0.563 . . . . 0.0 110.44 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 69.4 m -148.9 96.6 2.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.351 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.36 119.18 28.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.749 0.309 . . . . 0.0 110.68 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 26.7 t -137.9 154.07 49.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.41 146.18 41.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.148 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.37 -173.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.065 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -170.27 161.37 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.591 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -162.8 144.07 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.417 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -145.88 80.94 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.987 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.3 55.45 0.02 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -96.39 116.35 28.9 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.948 -0.148 . . . . 0.0 111.161 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.49 132.93 43.2 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.242 0.339 . . . . 0.0 110.75 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.55 125.39 25.64 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.507 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 72.8 m 51.9 34.55 13.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.494 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.742 0.306 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 96.0 p -78.93 160.61 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.3 139.07 28.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.702 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.83 129.11 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.637 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.44 -52.74 6.94 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.348 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.81 -159.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.15 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.22 53.6 25.0 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.255 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.08 -175.82 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.079 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.59 -60.21 0.82 Allowed Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.59 -70.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.717 0.294 . . . . 0.0 111.118 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 46.6 t -109.42 147.68 32.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.49 134.36 32.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.546 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.92 153.01 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.53 -167.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.578 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 88.4 p -80.48 153.6 28.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -74.29 -33.5 63.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.406 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.06 -169.57 42.44 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.43 135.29 52.92 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.433 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 90.9 p -161.8 -168.94 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.006 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.8 115.24 19.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.335 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.45 102.02 13.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.68 130.86 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -159.22 0.07 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.01 44.32 0.56 Allowed 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.96 -112.09 0.45 Allowed Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 69.2 p -130.82 123.7 29.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.59 168.83 20.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.31 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.03 116.12 15.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.846 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.04 162.52 49.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.348 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -27.52 102.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.223 0 C-N-CA 124.642 3.561 . . . . 0.0 115.193 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -58.84 112.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.911 0.386 . . . . 0.0 110.008 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.88 106.13 0.31 Allowed Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . 0.403 ' CZ ' ' OG1' ' E' ' 78' ' ' THR . 1.6 t80 69.76 92.75 0.08 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.991 0.424 . . . . 0.0 111.285 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.76 -94.07 0.36 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 85.8 p -91.64 155.22 18.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.773 0.321 . . . . 0.0 111.041 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 78' ' ' THR . . . . . 0.403 ' OG1' ' CZ ' ' G' ' 75' ' ' TYR . 12.4 m -119.62 108.49 14.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.35 113.35 2.2 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.08 92.83 0.36 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -58.99 -167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.773 0.321 . . . . 0.0 110.493 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.85 -46.63 2.49 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.12 127.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.809 0.338 . . . . 0.0 110.707 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 68.1 m -148.72 97.76 2.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.103 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.9 120.25 31.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.758 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 26.9 t -138.2 154.14 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.001 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.44 146.21 41.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.211 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.16 -172.88 0.74 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.056 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.35 160.49 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.59 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t -162.89 143.86 9.73 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.149 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.13 81.12 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.978 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.19 55.6 0.02 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.87 116.55 30.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.697 0.285 . . . . 0.0 110.922 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.55 132.87 43.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.676 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.89 125.44 25.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.635 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m 51.93 34.34 13.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.752 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.525 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.81 0.338 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 95.3 p -78.84 160.58 27.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.26 139.01 28.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.758 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.82 129.04 11.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.582 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.32 -52.77 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.374 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.79 -159.67 0.98 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.138 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.19 53.55 25.35 Favored Glycine 0 C--O 1.223 -0.549 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.259 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.13 -175.93 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.184 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.54 -60.11 0.82 Allowed Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.166 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.6 -70.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.699 0.285 . . . . 0.0 111.165 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 46.5 t -109.52 147.61 32.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -139.32 134.28 32.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.654 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.85 153.01 43.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.58 -167.04 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.42 153.63 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.18 -33.67 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.474 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.98 -169.52 42.52 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.53 135.23 52.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.713 0.292 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 91.6 p -161.77 -169.02 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.942 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.66 115.31 19.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.276 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.45 102.04 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.671 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.61 130.78 53.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.56 -159.19 0.07 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.0 44.33 0.55 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.02 -112.14 0.46 Allowed Glycine 0 C--N 1.337 0.638 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 69.6 p -130.72 123.65 29.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.56 168.86 20.88 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.281 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -134.1 116.12 15.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.736 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.16 162.54 48.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.285 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -27.46 102.44 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.255 0 C-N-CA 124.745 3.63 . . . . 0.0 115.079 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -58.81 112.08 1.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.904 0.383 . . . . 0.0 109.986 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.06 106.11 0.32 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . 0.403 ' CZ ' ' OG1' ' F' ' 78' ' ' THR . 1.6 t80 69.74 92.69 0.08 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 111.275 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.73 -94.17 0.36 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.58 155.34 18.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.967 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 78' ' ' THR . . . . . 0.403 ' OG1' ' CZ ' ' H' ' 75' ' ' TYR . 12.7 m -119.76 108.5 14.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.485 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.38 113.36 2.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.11 92.68 0.36 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -58.92 -167.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.76 0.314 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 -46.61 2.47 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.12 127.5 0.02 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.834 0.349 . . . . 0.0 110.562 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.76 97.85 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.099 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.94 120.16 30.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.756 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 26.9 t -138.14 154.13 49.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.46 146.24 41.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.181 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.19 -172.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.029 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.34 160.56 5.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.624 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.91 143.84 9.69 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.186 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.14 81.25 1.59 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.964 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.19 55.53 0.02 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.95 116.63 30.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.72 0.295 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.53 132.84 43.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.705 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.95 125.52 25.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.623 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 72.5 m 51.82 34.39 13.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.736 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.561 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.836 0.35 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 95.2 p -78.87 160.65 27.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.35 139.05 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.663 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.84 129.08 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.581 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.35 -52.74 6.96 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.4 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.85 -159.81 1.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.062 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.4 53.47 24.96 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.248 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.03 -175.84 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.186 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.6 -60.04 0.82 Allowed Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.082 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -151.58 -70.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.752 0.31 . . . . 0.0 111.168 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 46.5 t -109.44 147.6 32.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.44 134.18 31.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.659 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.74 152.94 43.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.454 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.48 -167.09 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.673 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 88.8 p -80.46 153.65 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.27 -33.53 63.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.467 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.07 -169.53 42.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.45 135.3 52.89 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.388 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 92.5 p -161.81 -168.89 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.001 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.81 115.29 19.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.26 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.5 102.01 13.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.8 m -121.71 130.92 53.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.65 -159.16 0.07 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.04 44.44 0.56 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.571 0.212 . . . . 0.0 111.571 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.9 -112.22 0.46 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 69.5 p -130.69 123.53 29.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.44 168.92 20.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.09 0.471 . . . . 0.0 111.282 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -134.19 116.03 14.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.844 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.06 162.44 49.38 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.296 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -27.57 102.55 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.216 0 C-N-CA 124.645 3.563 . . . . 0.0 115.11 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -58.87 112.1 1.53 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.332 0.395 . . . . 0.0 110.011 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.16 106.04 0.33 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . 0.403 ' CZ ' ' OG1' ' G' ' 78' ' ' THR . 1.7 t80 69.85 92.68 0.08 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.892 0.377 . . . . 0.0 111.188 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.74 -94.08 0.36 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 85.7 p -91.5 155.22 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 111.056 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 78' ' ' THR . . . . . 0.401 ' OG1' ' CZ ' ' I' ' 75' ' ' TYR . 12.4 m -119.63 108.54 14.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.35 113.37 2.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.1 92.73 0.36 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -59.02 -167.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.532 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.87 -46.5 2.49 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.07 127.55 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.803 0.335 . . . . 0.0 110.639 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 68.3 m -148.72 97.79 2.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.152 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.94 120.18 30.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.726 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 27.0 t -138.2 154.11 49.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 90.5 p -138.45 146.24 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.154 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.15 -172.93 0.75 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.004 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -172.23 160.63 5.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.621 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.91 143.84 9.7 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.202 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.07 81.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.934 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.1 55.58 0.02 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.91 116.64 30.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.742 0.306 . . . . 0.0 110.8 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.58 132.87 43.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.732 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.88 125.42 25.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.636 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 72.8 m 51.85 34.38 13.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.502 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.709 0.29 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 95.0 p -78.84 160.79 27.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.064 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -144.56 138.98 27.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.757 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -150.68 130.19 13.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.547 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -82.78 -52.82 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.065 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 10.9 t -131.82 -159.62 0.98 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.25 53.5 25.4 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.331 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.12 -175.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.057 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.74 -60.08 0.81 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.67 -70.98 0.16 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.707 0.289 . . . . 0.0 111.119 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -109.6 147.11 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.852 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -138.89 134.24 32.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.725 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.77 153.02 43.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.439 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.46 -167.35 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.628 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 89.7 p -80.19 153.7 28.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -74.39 -33.46 63.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.451 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.15 -169.54 42.29 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.47 135.46 53.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.723 0.297 . . . . 0.0 110.281 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 90.0 p -162.04 -169.13 2.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.952 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.68 115.22 19.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.359 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.47 101.97 13.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.685 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -121.29 131.12 54.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.86 -159.03 0.07 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -79.11 45.46 0.63 Allowed 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.873 -0.193 . . . . 0.0 111.394 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.1 -112.02 0.39 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 63.6 p -130.6 123.93 30.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.96 168.95 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.169 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 40.7 t -134.22 115.99 14.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.861 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.69 162.54 50.02 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -28.25 103.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 124.603 3.535 . . . . 0.0 114.74 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -59.05 112.55 1.72 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.857 0.36 . . . . 0.0 110.036 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.19 106.13 0.33 Allowed Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . 0.401 ' CZ ' ' OG1' ' H' ' 78' ' ' THR . 1.7 t80 69.86 92.87 0.08 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.673 0.273 . . . . 0.0 111.037 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.75 -93.61 0.37 Allowed Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 85.8 p -91.69 155.41 18.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.832 0.348 . . . . 0.0 110.982 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 14.2 m -119.61 108.26 14.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.559 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.99 113.46 2.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.14 92.8 0.36 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -59.0 -167.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.943 0.402 . . . . 0.0 110.468 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.05 -46.32 2.45 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.04 127.63 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.855 0.359 . . . . 0.0 110.53 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -148.86 97.72 2.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.203 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.86 120.17 30.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.73 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -138.24 153.86 49.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 90.1 p -138.23 146.15 42.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.102 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.38 -173.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.962 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -171.26 160.76 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.729 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 30.5 t -162.83 144.04 9.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.848 0.356 . . . . 0.0 111.264 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -146.46 82.36 1.59 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.805 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 162.39 55.53 0.02 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.89 116.4 30.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.53 132.83 43.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.689 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.89 125.49 25.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 72.4 m 51.83 34.48 13.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.742 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.487 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.627 0.251 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -58.18 131.91 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.979 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.6 m -118.01 130.43 56.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.184 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -143.1 121.78 12.57 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.465 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 t -86.18 -39.09 17.0 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.975 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -133.64 175.09 9.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.943 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.12 70.12 1.22 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 30.99 71.85 0.07 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.069 0.511 . . . . 0.0 112.305 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.25 94.49 0.12 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.05 91.6 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.3 t -149.43 146.02 27.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.783 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -127.57 121.45 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.618 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -71.77 -29.45 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.29 -161.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -57.94 138.88 55.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.394 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.75 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.78 -179.13 52.79 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.81 95.27 9.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.3 154.95 37.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -50.07 126.2 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -135.25 102.58 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.9 p -100.63 146.26 27.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.1 0.476 . . . . 0.0 110.632 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.12 -160.49 0.55 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.73 -46.16 14.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.965 0.412 . . . . 0.0 110.941 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.82 -102.84 2.41 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.6 p -112.81 116.63 30.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.144 0.497 . . . . 0.0 110.345 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -169.21 143.86 3.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.973 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.5 m -110.16 127.66 55.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.06 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.38 169.11 16.09 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -49.33 105.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.193 1.928 . . . . 0.0 113.024 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -67.22 112.64 4.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.932 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.04 116.14 0.23 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.0 t80 58.83 87.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.187 0.518 . . . . 0.0 110.88 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.22 88.37 0.77 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.22 125.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.22 114.75 20.24 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.21 0.529 . . . . 0.0 109.747 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.25 -88.23 0.21 Allowed Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.58 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.18 134.26 10.01 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -81.19 -167.99 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.63 0.253 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.12 -46.07 1.24 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 171.24 131.54 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.732 0.301 . . . . 0.0 110.667 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.39 -71.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.997 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 48.69 70.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.102 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.1 t -135.81 133.2 37.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.879 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.0 m -121.6 151.21 40.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.377 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.38 -173.52 0.65 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.961 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -167.53 160.56 13.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.749 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.7 t -163.82 131.19 3.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.94 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -145.15 92.97 2.32 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 157.62 40.93 0.02 OUTLIER Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.48 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.5 133.72 41.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.681 0.277 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.42 137.29 35.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.913 0.387 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.75 130.08 31.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.166 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t 58.14 51.43 8.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.492 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.496 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.742 0.306 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.8 m -58.43 131.87 52.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.993 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -117.85 130.66 56.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.215 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -143.33 121.81 12.43 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.49 -39.09 16.62 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.684 -0.407 . . . . 0.0 111.917 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.53 175.48 9.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.952 0.406 . . . . 0.0 110.939 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.62 71.9 0.87 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.24 72.43 0.05 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.69 94.48 0.14 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.25 91.4 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 45.2 t -149.43 145.85 27.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.843 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.7 t -127.6 121.46 30.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.604 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.4 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.29 -161.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -57.98 138.94 55.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.378 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.74 152.81 28.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.82 -179.15 52.79 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.76 95.2 8.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.966 0.412 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 77.6 p -151.32 154.5 36.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.59 126.14 12.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.27 102.36 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.611 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.25 146.61 26.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.709 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.48 -160.4 0.63 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.85 -46.13 15.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.723 0.297 . . . . 0.0 110.748 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.89 -103.19 2.46 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 24.8 p -112.29 116.63 30.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.813 0.339 . . . . 0.0 110.417 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.15 143.86 3.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.15 127.67 55.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.091 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.44 169.02 16.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.051 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 53.1 Cg_exo -49.42 103.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.4 2.067 . . . . 0.0 113.31 -178.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.99 112.82 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.638 0.586 . . . . 0.0 110.338 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.97 116.34 0.23 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 58.72 87.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.737 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.29 88.62 0.78 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.43 124.11 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.89 114.72 19.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.186 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.99 -88.26 0.2 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.08 134.4 9.73 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -81.36 -168.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.689 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.23 -45.79 1.27 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.18 131.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.736 0.303 . . . . 0.0 110.651 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 43.4 t -98.32 -71.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.073 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.71 70.66 0.44 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.034 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 13.8 t -135.79 133.2 37.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 66.1 m -121.56 151.03 40.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.337 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.28 -173.48 0.66 Allowed 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.09 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 92.5 p -167.47 160.42 13.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.731 0.3 . . . . 0.0 110.747 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 45.8 t -163.77 131.22 3.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.16 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.14 94.29 2.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.77 41.08 0.02 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.55 133.6 41.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 0.0 110.471 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -139.47 137.22 35.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 130.12 31.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.198 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t 58.16 51.32 8.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.515 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.608 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.71 0.291 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -58.54 131.84 51.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 0.0 110.985 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 91.4 m -117.73 130.58 56.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.251 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -143.3 121.74 12.4 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.46 -39.16 16.58 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.912 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.48 175.49 9.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.995 0.426 . . . . 0.0 110.829 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.66 71.88 0.88 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.17 72.49 0.05 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.74 94.48 0.14 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 68.23 91.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 45.4 t -149.34 145.84 27.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -127.53 121.44 30.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.634 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.33 64.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.24 -161.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.431 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 69.0 m -57.98 138.96 55.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.395 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.77 28.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.671 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.89 -179.15 52.78 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.72 95.14 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.389 . . . . 0.0 110.804 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.34 154.41 36.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.42 126.12 12.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.745 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.3 102.38 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -100.16 146.54 26.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.755 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.41 -160.34 0.61 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -46.12 15.8 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.689 0.281 . . . . 0.0 110.754 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.92 -103.23 2.46 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 25.0 p -112.36 116.61 30.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.745 0.307 . . . . 0.0 110.378 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -169.13 144.01 3.12 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -110.24 127.63 55.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.107 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.39 169.01 16.36 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.033 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 72' ' ' PRO . . . . . 0.406 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 53.4 Cg_exo -49.41 102.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.446 2.098 . . . . 0.0 113.304 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.7 112.73 3.35 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.641 0.588 . . . . 0.0 110.407 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.02 116.31 0.23 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 4.5 t80 58.72 87.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.75 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.24 88.63 0.78 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.48 124.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.89 114.77 19.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.393 . . . . 0.0 110.262 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.06 -88.25 0.2 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.08 134.33 9.76 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.421 -0.671 . . . . 0.0 111.421 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -81.24 -168.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.719 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.3 -45.79 1.27 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.15 131.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.747 0.308 . . . . 0.0 110.664 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.36 -71.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.051 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.91 70.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.992 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.71 133.09 37.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.83 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.51 151.03 40.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.388 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.24 -173.51 0.67 Allowed 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.103 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -167.41 160.39 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.759 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 45.5 t -163.75 131.32 3.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.127 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.34 94.5 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.63 41.12 0.02 OUTLIER Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.53 133.56 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 0.0 110.46 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -139.48 137.22 35.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 130.2 31.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.199 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t 57.97 51.43 8.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.918 0.389 . . . . 0.0 110.554 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.599 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.658 0.266 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.5 131.9 52.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.853 0.358 . . . . 0.0 110.973 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -117.99 130.34 56.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.276 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.09 121.9 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.66 -39.06 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.965 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.53 175.52 9.35 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.918 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 49' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 67.65 71.85 0.88 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 50' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' D' ' 49' ' ' GLY . 13.1 m-85 29.24 72.72 0.05 Allowed 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.96 94.47 0.14 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 68.25 91.26 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.833 0.349 . . . . 0.0 110.087 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 45.7 t -149.37 145.9 27.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -127.51 121.46 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.648 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -71.73 -29.34 64.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.17 -161.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.412 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -57.79 138.93 55.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.392 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.86 152.78 28.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.601 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.91 -179.15 52.78 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.69 95.14 8.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 110.821 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.26 154.4 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.46 126.1 12.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.672 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.23 102.44 5.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.53 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 81.4 p -100.49 146.47 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.818 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.32 -160.31 0.58 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -45.69 16.26 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.721 0.296 . . . . 0.0 110.776 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.42 -103.01 2.47 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 25.2 p -112.39 116.52 30.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.655 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.06 144.07 3.17 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.891 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -110.26 127.76 55.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.118 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.52 169.04 16.14 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 72' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 52.3 Cg_exo -49.44 102.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.405 2.07 . . . . 0.0 113.355 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.68 112.64 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.668 0.605 . . . . 0.0 110.41 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.01 116.2 0.23 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 58.85 87.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.898 0.38 . . . . 0.0 110.816 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.21 88.62 0.79 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.77 124.1 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.0 114.76 19.15 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.35 178.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.07 -88.3 0.2 Allowed Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.11 134.4 9.8 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.23 -168.03 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.765 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.19 -45.75 1.28 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.24 131.59 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.674 0.273 . . . . 0.0 110.656 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 43.3 t -98.27 -71.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.049 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 48.83 70.53 0.45 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.048 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.72 133.21 37.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.756 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.56 150.99 40.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.23 -173.63 0.68 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.106 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 92.5 p -167.32 160.4 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.74 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 45.8 t -163.78 131.2 3.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.115 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.32 94.65 2.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.57 41.2 0.02 OUTLIER Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.474 -0.651 . . . . 0.0 111.474 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.55 133.59 41.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.474 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.46 137.23 35.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.65 130.2 31.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.272 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 47.8 t 57.99 51.4 8.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.591 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.531 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.676 0.274 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.41 131.9 52.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.927 0.394 . . . . 0.0 110.984 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 91.1 m -117.99 130.7 56.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.198 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -143.6 122.57 12.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.106 0.955 . . . . 0.0 111.036 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -88.86 -38.94 14.19 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.076 -1.015 . . . . 0.0 111.34 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -130.86 175.53 8.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.811 0.339 . . . . 0.0 111.477 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 49' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 68.93 70.91 1.05 Allowed Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.222 177.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 50' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' E' ' 49' ' ' GLY . 14.0 m-85 26.65 76.88 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.087 0.555 . . . . 0.0 111.356 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.24 92.26 0.14 Allowed Glycine 0 CA--C 1.518 0.238 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 69.08 91.54 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.919 0.39 . . . . 0.0 110.007 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 45.5 t -149.44 145.91 27.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -127.35 121.82 32.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.489 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -71.96 -29.42 64.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.678 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.31 -161.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.387 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -58.04 138.93 55.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.84 152.73 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.703 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.84 -179.06 52.76 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.82 95.2 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 110.796 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -151.35 154.43 36.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.57 125.94 12.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.695 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -135.01 101.99 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.727 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -99.98 146.35 26.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.546 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.61 -161.99 0.59 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.56 -47.2 10.24 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.715 0.293 . . . . 0.0 110.62 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.52 -103.08 2.38 Favored Glycine 0 N--CA 1.464 0.54 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 25.0 p -112.53 115.89 29.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.895 0.409 . . . . 0.0 110.409 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.3 144.63 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.801 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 73.6 m -110.62 128.46 55.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.972 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.92 168.68 17.14 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.117 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 72' ' ' PRO . . . . . 0.429 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 61.0 Cg_exo -51.11 107.9 0.2 Allowed 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 121.059 1.173 . . . . 0.0 112.102 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -67.74 114.19 6.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.878 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.71 115.03 0.21 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 60.67 85.99 0.11 Allowed 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.787 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -99.84 91.87 1.07 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.788 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 2.4 p 61.22 125.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.912 0.387 . . . . 0.0 111.898 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.6 113.93 19.13 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.144 0.497 . . . . 0.0 109.915 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.99 -88.97 0.16 Allowed Glycine 0 CA--C 1.543 1.826 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.312 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -45.14 133.93 7.85 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -80.96 -167.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.69 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.9 -43.46 1.67 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 169.08 132.06 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.989 0.423 . . . . 0.0 110.346 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 43.0 t -98.48 -71.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.676 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 48.89 70.75 0.43 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.57 132.87 37.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.724 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.48 151.04 40.71 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.421 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.27 -173.64 0.67 Allowed 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 121.397 0.618 . . . . 0.0 111.049 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -166.69 160.65 15.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.821 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 46.0 t -162.88 131.28 3.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.409 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -144.81 93.71 2.44 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.173 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.76 41.75 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.33 133.44 40.7 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.969 -0.136 . . . . 0.0 110.804 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.56 137.21 35.22 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.853 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.41 130.3 32.49 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.801 0.688 . . . . 0.0 110.005 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 47.4 t 58.19 51.38 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.56 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.714 0.292 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.47 131.95 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.958 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -117.85 130.67 56.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.18 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -143.4 121.89 12.44 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.43 -39.3 16.49 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.922 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.4 175.59 9.28 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.881 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.55 72.04 0.85 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 28.88 72.63 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.83 94.36 0.14 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.27 91.38 0.09 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.831 0.348 . . . . 0.0 110.063 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 45.6 t -149.45 145.83 27.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.846 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.9 t -127.54 121.42 30.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.658 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -71.77 -29.35 64.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.3 -161.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.44 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.0 m -57.85 138.88 55.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.416 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.8 152.72 28.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.652 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.85 -179.05 52.75 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.78 95.14 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.383 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 77.6 p -151.31 154.27 36.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.44 126.19 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.68 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.4 102.46 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 81.4 p -100.06 146.82 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.955 0.407 . . . . 0.0 110.497 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.63 -160.1 0.64 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.99 -46.41 16.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.68 0.276 . . . . 0.0 110.766 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.13 -103.3 2.45 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 25.0 p -112.2 117.0 31.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 110.312 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.38 144.05 2.98 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.32 127.62 55.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.12 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.43 169.02 16.29 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.013 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 72' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 53.5 Cg_exo -49.41 102.83 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.435 2.09 . . . . 0.0 113.351 -178.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.57 112.68 3.27 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.76 0.663 . . . . 0.0 110.491 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.9 116.54 0.23 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 4.5 t80 58.9 87.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.769 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.22 88.68 0.79 Allowed Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.42 124.03 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.94 114.84 19.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.977 0.418 . . . . 0.0 110.237 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.93 -88.25 0.2 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.07 134.33 9.74 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.27 -168.21 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.362 . . . . 0.0 110.679 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.38 -45.8 1.27 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.16 131.6 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.781 0.324 . . . . 0.0 110.637 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 43.4 t -98.27 -71.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.063 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.83 70.57 0.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.019 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.71 133.22 37.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.798 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -121.59 151.08 40.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.23 -173.57 0.67 Allowed 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.142 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -167.49 160.38 13.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.745 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 45.2 t -163.81 131.27 3.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.15 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.08 94.77 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.016 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.39 41.1 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.45 133.44 42.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.678 0.275 . . . . 0.0 110.482 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.37 137.19 35.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.956 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.69 130.17 31.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.146 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 47.7 t 58.06 51.41 8.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.449 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.581 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.63 0.252 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.32 131.91 52.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.055 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -117.88 130.61 56.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.183 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.39 121.84 12.41 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.6 -39.11 16.46 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.891 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.5 175.5 9.37 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.909 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.61 71.88 0.88 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.17 72.56 0.05 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.81 94.38 0.14 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 68.34 91.32 0.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 45.7 t -149.39 145.94 27.23 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.778 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.9 t -127.61 121.43 30.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -71.75 -29.38 64.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.3 -161.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.392 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.1 m -57.9 138.93 55.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.433 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.85 152.72 28.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.652 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.84 -179.02 52.74 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.86 95.19 8.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.793 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -151.35 154.32 36.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.43 126.14 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.675 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -135.3 102.47 5.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.485 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.25 146.64 26.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.665 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.55 -160.17 0.63 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.96 -46.07 16.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.719 0.295 . . . . 0.0 110.797 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.84 -103.23 2.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -112.29 116.78 30.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 110.353 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.22 144.06 3.08 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 73.4 m -110.35 127.65 55.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.064 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.49 168.96 16.46 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.012 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 72' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' H' ' 72' ' ' PRO . 53.4 Cg_exo -49.24 102.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.427 2.084 . . . . 0.0 113.311 -178.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.69 112.77 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.649 0.593 . . . . 0.0 110.407 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.11 116.31 0.24 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 4.5 t80 58.8 87.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.26 88.53 0.78 Allowed Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.7 123.97 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.88 114.7 18.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.882 0.373 . . . . 0.0 110.225 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.92 -88.2 0.2 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.05 134.37 9.68 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -81.28 -168.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.684 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.32 -45.71 1.28 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.09 131.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.792 0.329 . . . . 0.0 110.613 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 43.1 t -98.42 -71.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.016 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 48.75 70.57 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.054 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.73 133.13 37.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.795 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 66.1 m -121.45 151.06 40.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.27 -173.49 0.66 Allowed 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.013 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -167.46 160.35 13.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.737 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 45.1 t -163.67 131.26 3.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.155 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.21 94.76 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.43 41.15 0.02 OUTLIER Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.53 133.6 41.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 110.436 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.48 137.23 35.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.65 130.11 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.301 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 47.5 t 58.2 51.28 8.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.538 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.529 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.701 0.286 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.41 131.87 51.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 111.011 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -117.89 130.6 56.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.258 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.29 121.96 12.57 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.67 -39.16 16.32 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.855 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.52 175.42 9.44 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.907 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.73 71.9 0.87 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 29.07 72.54 0.05 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.67 94.41 0.13 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 68.19 91.29 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.862 0.363 . . . . 0.0 110.036 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 45.8 t -149.25 145.93 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.821 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -127.62 121.38 30.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.639 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.36 64.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 10.0 t 51.29 -161.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.385 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -57.97 138.99 55.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.82 152.8 28.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.626 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.98 -179.0 52.71 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.84 95.15 8.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.974 0.416 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 77.8 p -151.29 154.35 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.46 126.1 12.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.688 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.24 102.35 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.602 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.13 146.72 26.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.732 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.65 -160.21 0.66 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -46.09 15.75 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.67 0.271 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.89 -103.32 2.48 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 25.2 p -112.27 116.81 31.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.744 0.307 . . . . 0.0 110.438 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -169.24 144.0 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.25 127.58 55.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.116 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.37 168.95 16.6 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.065 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 72' ' ' PRO . . . . . 0.414 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 53.0 Cg_exo -49.42 102.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.435 2.09 . . . . 0.0 113.297 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.55 112.76 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.755 0.659 . . . . 0.0 110.463 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.05 116.32 0.23 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 4.4 t80 58.99 87.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 0.0 110.664 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.25 88.62 0.78 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.58 123.98 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.8 114.79 18.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 110.257 178.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.94 -88.24 0.2 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.17 134.37 9.93 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -81.2 -168.1 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.769 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.19 -45.77 1.27 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.21 131.68 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.736 0.303 . . . . 0.0 110.688 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.42 -71.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.999 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.73 70.57 0.45 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 13.8 t -135.71 133.16 37.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.764 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -121.49 151.08 40.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.42 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.32 -173.6 0.66 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.057 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 92.9 p -167.4 160.45 13.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.768 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 45.2 t -163.76 131.19 3.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.15 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.25 95.01 2.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.995 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.32 41.18 0.02 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.56 133.64 41.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 0.0 110.415 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.53 137.22 35.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.76 130.14 31.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.178 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t 58.07 51.39 8.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.522 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.571 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.679 0.276 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.37 132.16 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.949 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 89.8 m -118.25 130.68 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.24 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -143.06 123.66 14.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.722 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -88.65 -39.19 14.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.465 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.56 175.41 9.45 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.828 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 67.73 72.01 0.86 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' I' ' 49' ' ' GLY . 13.1 m-85 28.96 73.93 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.88 94.36 0.17 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 68.05 90.97 0.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.819 0.343 . . . . 0.0 110.143 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -149.0 145.93 27.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.861 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -127.62 121.54 30.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -71.76 -29.49 64.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.572 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 10.0 t 51.34 -161.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.416 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -57.98 138.93 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.354 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.78 28.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.697 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.83 -178.97 52.71 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.84 94.99 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 78.2 p -151.12 154.36 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.6 126.22 13.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.42 102.4 5.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.492 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 81.9 p -99.91 147.06 25.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.99 -159.97 0.72 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.31 -45.85 17.73 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.431 0.158 . . . . 0.0 110.636 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.82 -103.47 2.51 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 26.5 p -112.09 116.63 30.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.05 144.12 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.687 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -110.23 127.74 55.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.089 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 169.09 16.07 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.904 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 72' ' ' PRO . . . . . 0.4 ' O ' ' HA ' ' H' ' 72' ' ' PRO . 53.3 Cg_exo -49.5 102.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.59 2.194 . . . . 0.0 112.984 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -64.56 113.11 3.49 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.561 0.538 . . . . 0.0 110.505 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.12 116.56 0.24 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 4.3 t80 58.68 88.33 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.505 0.193 . . . . 0.0 110.562 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.28 89.4 0.83 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 62.84 123.98 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.66 114.72 18.8 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.334 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.73 -88.03 0.2 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.678 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.2 134.65 9.85 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.44 -168.15 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.453 . . . . 0.0 110.631 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.29 -45.42 1.32 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.04 131.75 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.766 0.317 . . . . 0.0 110.598 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 43.1 t -98.36 -71.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.101 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.79 70.56 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.968 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.65 133.13 37.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.795 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 65.9 m -121.36 151.03 40.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.5 -174.28 0.7 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.048 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 93.2 p -166.67 160.54 15.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.833 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 45.4 t -163.61 131.79 3.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 111.137 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -145.85 96.18 2.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.783 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 155.4 41.32 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.51 133.34 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.726 0.298 . . . . 0.0 110.551 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.5 137.19 35.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.847 0.356 . . . . 0.0 110.929 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.72 130.15 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.138 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 47.4 t 58.13 51.29 8.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.572 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.619 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.32 136.22 48.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.607 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.7 m 53.95 95.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.883 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.04 129.3 6.95 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -135.34 147.45 49.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.839 0.352 . . . . 0.0 110.678 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.3 m 50.12 42.79 25.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.636 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -88.57 107.27 18.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -141.12 115.05 9.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.742 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -118.46 127.77 53.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -148.06 124.34 10.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.105 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.19 -54.32 8.76 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.37 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.3 t -132.61 -171.48 2.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.11 68.13 1.77 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 30.15 77.84 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.214 0.596 . . . . 0.0 111.753 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.02 -62.99 3.84 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -139.05 80.42 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.833 0.349 . . . . 0.0 110.209 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.6 t -138.85 128.24 24.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.93 166.49 21.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.85 49.32 12.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.732 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.05 -39.35 89.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.399 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.8 p -151.0 159.62 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -142.35 128.69 19.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.92 -152.18 48.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -50.36 115.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.382 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.84 153.52 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.769 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -100.0 107.96 20.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.285 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.76 104.61 16.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.752 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.5 m -119.65 127.83 53.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.463 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.64 -164.77 0.46 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.78 -53.9 22.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 111.097 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.11 -93.87 0.87 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -115.06 113.21 23.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.011 0.434 . . . . 0.0 110.396 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.46 143.12 3.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.072 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -107.97 124.08 49.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.415 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.58 174.28 6.19 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.892 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -47.98 178.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.732 2.288 . . . . 0.0 113.818 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.39 111.72 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.285 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 113.83 -85.84 0.4 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.05 50.11 0.87 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.626 0.727 . . . . 0.0 110.809 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.13 127.79 44.14 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.48 91.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.711 0.291 . . . . 0.0 110.599 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.6 m -80.54 102.99 10.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.041 0.448 . . . . 0.0 110.346 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.16 -147.27 13.7 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.16 71.63 0.58 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -51.99 140.2 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.734 0.302 . . . . 0.0 110.974 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.59 -47.35 0.65 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.33 130.26 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.687 0.279 . . . . 0.0 110.265 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -133.95 94.2 3.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.458 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.74 99.22 7.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.279 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -147.12 -177.76 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.031 0.443 . . . . 0.0 111.324 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.5 t -155.98 135.26 12.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.75 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.39 -177.91 6.89 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.215 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.3 p -171.19 165.62 7.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t -163.43 128.71 3.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.663 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -141.34 86.79 2.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.007 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 151.05 48.31 0.02 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.46 133.24 42.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.714 0.292 . . . . 0.0 110.605 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.21 139.22 33.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.2 m -130.06 114.62 16.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.8 t 65.19 85.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.618 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.616 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.2 136.23 48.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.683 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m 53.9 95.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.05 129.31 6.95 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -135.27 147.58 49.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.0 m 50.0 42.73 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.679 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.5 107.18 18.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.95 115.04 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.822 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -118.38 127.79 54.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.668 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.07 124.38 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.335 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.38 -54.62 7.88 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.269 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.3 -171.23 2.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.962 0.41 . . . . 0.0 110.87 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 65.81 69.31 1.38 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 49' ' ' GLY . 88.0 m-85 28.74 78.33 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 O-C-N 124.12 0.541 . . . . 0.0 111.854 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.38 -62.98 3.99 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -139.02 80.37 1.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.894 0.378 . . . . 0.0 110.24 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.7 t -138.95 127.66 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 61.1 m -131.34 166.59 20.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 57.95 49.24 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.734 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -60.96 -39.42 89.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.425 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -150.9 159.7 44.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -142.45 128.68 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.586 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.85 -152.38 48.48 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.0 115.05 1.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.383 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p 175.82 153.22 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.885 0.374 . . . . 0.0 110.838 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.71 107.98 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.389 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.82 104.63 16.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.722 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -119.5 127.97 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.406 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.87 -164.59 0.48 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -53.92 22.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.723 0.297 . . . . 0.0 110.984 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.22 -94.1 0.89 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.6 p -114.83 113.3 24.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 0.0 110.359 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.53 142.82 3.25 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.11 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.1 m -107.61 124.0 49.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.27 174.41 6.04 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.805 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -47.68 -179.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.786 2.324 . . . . 0.0 113.742 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.04 110.95 3.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.237 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.65 -85.72 0.4 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.74 49.38 0.9 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.405 0.622 . . . . 0.0 110.782 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.29 128.08 43.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 91.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.743 0.306 . . . . 0.0 110.664 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.41 102.88 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.398 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.12 -146.67 13.23 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.99 71.63 0.57 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.09 140.38 20.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.921 0.391 . . . . 0.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.52 -47.24 0.66 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.26 130.36 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.686 0.279 . . . . 0.0 110.251 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.02 94.26 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.68 98.75 6.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.59 -177.62 5.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 111.379 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -155.93 135.13 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.873 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.26 -177.77 6.8 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.468 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 87.6 p -171.28 165.56 7.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -163.39 128.87 3.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.56 88.17 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.13 48.28 0.02 OUTLIER Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.4 133.16 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.713 0.292 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.31 139.24 33.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -130.13 114.55 15.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.369 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t 65.37 85.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.622 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.627 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.26 136.32 48.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.641 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m 53.8 95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.11 129.29 6.93 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -135.29 147.6 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.674 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 49.7 m 49.98 42.74 24.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.69 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.53 107.23 18.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.481 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.91 114.93 9.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.758 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -118.3 127.74 54.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.697 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.0 124.35 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.29 -54.67 7.82 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.39 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.26 -171.17 2.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.983 0.421 . . . . 0.0 110.905 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 65.73 69.4 1.36 Allowed Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' C' ' 49' ' ' GLY . 87.9 m-85 28.73 78.34 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.104 0.532 . . . . 0.0 111.851 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.43 -63.0 3.99 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -139.01 80.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.829 0.347 . . . . 0.0 110.176 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 20.8 t -138.85 127.58 23.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 61.5 m -131.31 166.58 20.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.96 49.31 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.78 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.07 -39.36 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 91.2 p -150.93 159.63 44.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -142.41 128.73 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.72 -152.36 48.23 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.96 115.02 1.23 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.44 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p 175.87 153.25 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.905 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.72 107.96 20.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.76 104.6 16.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 96.8 m -119.45 128.05 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.394 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.91 -164.59 0.48 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -53.98 22.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.589 0.233 . . . . 0.0 110.9 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.29 -94.1 0.88 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.4 p -114.81 113.36 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.52 142.75 3.24 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.073 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 67.3 m -107.51 123.97 49.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.26 174.48 5.94 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.822 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' D' ' 72' ' ' PRO . 76.3 Cg_exo -47.7 -179.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.804 2.336 . . . . 0.0 113.682 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.15 110.99 3.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.184 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.75 -85.69 0.4 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.83 49.39 0.9 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.401 0.619 . . . . 0.0 110.782 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.29 128.12 43.42 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.2 91.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.777 0.323 . . . . 0.0 110.605 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.45 103.0 10.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.399 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.13 -146.72 13.25 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.0 71.61 0.58 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -51.97 140.43 20.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.929 0.395 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.47 -47.24 0.66 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.24 130.33 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.711 0.291 . . . . 0.0 110.268 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.94 94.25 3.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.472 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.65 98.61 6.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.342 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.48 -177.61 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.41 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -155.93 135.15 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.818 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.26 -177.89 6.89 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.463 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 87.3 p -171.21 165.53 7.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.28 128.9 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.741 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.62 88.39 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.96 48.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.44 133.14 42.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.312 . . . . 0.0 110.59 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.27 139.28 33.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.16 114.58 15.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.379 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t 65.27 86.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.56 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.2 136.19 48.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.695 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m 53.97 95.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.09 129.27 6.93 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -135.17 147.63 49.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.773 0.321 . . . . 0.0 110.638 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 49.6 m 49.96 42.78 24.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.48 107.17 18.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 45.7 t -140.89 115.09 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m -118.53 127.66 53.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.759 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -147.93 124.34 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.421 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.46 -54.39 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.334 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.48 -171.19 2.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.96 0.41 . . . . 0.0 110.9 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 65.8 69.39 1.36 Allowed Glycine 0 CA--C 1.521 0.435 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' D' ' 49' ' ' GLY . 87.8 m-85 28.77 78.53 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.14 0.553 . . . . 0.0 111.645 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.57 -62.98 4.06 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -138.96 80.31 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.846 0.355 . . . . 0.0 110.226 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 21.6 t -138.96 127.62 23.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.951 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.26 166.64 20.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 57.9 49.34 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.725 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -61.04 -39.4 89.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.353 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 91.3 p -150.91 159.65 44.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.47 128.66 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.75 -152.36 48.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.95 115.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.376 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.76 153.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.872 0.367 . . . . 0.0 110.915 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.68 107.92 20.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.309 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.73 104.62 16.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.726 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -119.71 127.83 53.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.6 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.62 -164.56 0.44 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -53.46 27.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.581 0.229 . . . . 0.0 111.003 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.8 -93.96 0.89 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -114.83 113.1 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.631 0.253 . . . . 0.0 110.681 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.43 142.91 3.34 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.11 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 66.6 m -107.53 124.02 49.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.429 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.36 174.5 5.9 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.81 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 77.0 Cg_exo -47.7 -179.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.787 2.325 . . . . 0.0 113.715 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.1 110.93 3.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.308 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.66 -85.58 0.39 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.97 49.44 0.9 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.424 0.631 . . . . 0.0 110.769 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.32 128.1 43.41 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t 50.38 91.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 110.569 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.35 102.77 9.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.13 -146.76 13.29 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 71.73 0.56 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.13 140.44 20.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.46 -47.17 0.66 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.24 130.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.725 0.298 . . . . 0.0 110.227 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.0 94.13 3.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.61 98.7 6.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.373 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.53 -177.72 5.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.98 0.419 . . . . 0.0 111.39 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.9 135.09 12.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.855 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.26 -177.92 6.9 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.443 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.09 165.51 7.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.32 128.76 3.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.64 88.42 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.0 48.52 0.02 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -97.42 133.14 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.66 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.3 139.21 33.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -130.04 114.53 15.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t 65.38 85.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.63 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.615 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.27 136.29 48.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.734 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m 53.71 95.82 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.227 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.36 129.44 6.93 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -135.33 147.59 49.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.675 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 49.7 m 49.98 42.76 24.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.723 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.52 106.94 18.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.485 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 46.0 t -140.49 115.04 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -118.46 127.92 54.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 110.651 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -148.18 125.18 11.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -77.07 -50.84 12.17 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 118.955 -1.098 . . . . 0.0 111.757 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 8.8 t -130.99 -171.07 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.098 0.475 . . . . 0.0 111.441 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 65.97 70.11 1.18 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 177.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' E' ' 49' ' ' GLY . 87.8 m-85 26.21 81.33 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 124.669 0.864 . . . . 0.0 110.841 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.15 -64.56 3.24 Favored Glycine 0 CA--C 1.518 0.232 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -138.42 81.83 1.87 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.01 0.434 . . . . 0.0 110.002 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 21.5 t -139.73 127.66 22.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.587 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -131.38 166.72 20.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.21 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 57.8 49.13 12.62 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.711 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 72.9 m -60.98 -39.35 89.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.423 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 91.3 p -150.94 159.62 44.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.41 128.66 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.59 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.82 -152.32 48.48 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.06 115.06 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.78 153.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.368 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.73 107.85 20.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.348 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.66 104.5 16.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.817 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -119.48 127.99 53.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.295 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.43 -164.81 0.43 Allowed Glycine 0 CA--C 1.524 0.607 0 O-C-N 123.892 0.745 . . . . 0.0 111.266 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.7 -54.59 17.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.649 0.261 . . . . 0.0 110.75 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.63 -94.3 0.88 Allowed Glycine 0 N--CA 1.462 0.403 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.4 p -114.84 113.15 23.83 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.114 0.538 . . . . 0.0 110.257 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -168.32 143.54 3.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.002 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 69.4 m -108.34 125.54 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 119.009 -0.52 . . . . 0.0 110.165 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.65 174.44 5.8 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 125.06 1.475 . . . . 0.0 109.265 -179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . 0.407 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 75.8 Cg_exo -47.84 -179.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 122.782 2.321 . . . . 0.0 113.583 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -151.83 114.12 4.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.619 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 113.0 -86.62 0.43 Allowed Glycine 0 CA--C 1.534 1.278 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.1 48.94 0.9 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.294 0.569 . . . . 0.0 111.038 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.09 128.05 42.86 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t 49.79 92.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.366 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 6.9 m -81.04 103.56 10.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.229 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.44 -146.79 13.07 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.66 72.3 0.47 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -52.71 139.96 24.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.004 0.43 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.84 -44.77 0.73 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 169.02 130.75 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.875 0.369 . . . . 0.0 110.061 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.26 93.61 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.65 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.05 97.77 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.359 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.16 -177.88 5.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.002 0.43 . . . . 0.0 111.353 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -155.81 135.05 12.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.854 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.39 -178.24 7.13 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.475 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 88.3 p -170.12 165.77 9.17 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -162.81 128.99 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.34 88.07 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.799 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.12 48.85 0.02 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -96.3 132.86 41.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.467 -0.093 . . . . 0.0 110.875 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.19 139.4 33.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.9 m -129.93 114.49 15.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.261 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t 65.29 86.11 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.727 0.642 . . . . 0.0 110.657 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.543 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.22 136.27 48.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.698 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 49.8 m 53.94 95.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.11 129.37 6.97 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -135.35 147.62 49.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 110.741 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 49.7 m 49.98 42.74 24.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.73 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.6 107.18 18.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.502 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 45.4 t -140.94 115.03 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -118.37 127.94 54.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.651 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -148.1 124.5 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.405 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.3 -54.77 7.55 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.31 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.23 -171.25 2.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.858 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 65.8 69.55 1.32 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' F' ' 49' ' ' GLY . 87.9 m-85 28.5 78.3 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.123 0.543 . . . . 0.0 111.919 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.3 -63.1 3.89 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -138.99 80.39 1.78 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.829 0.347 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 21.3 t -138.98 127.52 23.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 61.4 m -131.26 166.61 20.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.95 49.23 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.763 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -60.98 -39.4 89.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.413 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -150.91 159.72 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.45 128.64 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.619 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.83 -152.36 48.47 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.95 114.97 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.86 153.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.369 . . . . 0.0 110.877 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.71 108.02 20.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.301 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.88 104.52 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -119.31 128.33 54.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.21 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -164.42 0.51 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.85 -54.42 19.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.636 0.255 . . . . 0.0 110.89 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.56 -94.22 0.88 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 19.5 p -114.65 113.52 24.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.65 142.78 3.17 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 67.0 m -107.51 124.04 49.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.461 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.34 174.54 5.85 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.804 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . 0.407 ' O ' ' HA ' ' E' ' 72' ' ' PRO . 76.3 Cg_exo -47.7 -179.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.77 2.313 . . . . 0.0 113.682 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.07 110.87 3.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.281 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.71 -85.72 0.4 Allowed Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.53 49.1 0.91 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.347 0.594 . . . . 0.0 110.804 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.16 128.2 43.36 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.08 91.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.79 0.329 . . . . 0.0 110.628 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 6.7 m -80.39 102.95 9.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.14 -146.76 13.28 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.13 71.61 0.58 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -52.02 140.39 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.921 0.391 . . . . 0.0 110.951 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.49 -47.18 0.66 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.26 130.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -133.94 94.21 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.521 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.62 98.69 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.4 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.5 -177.54 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 0.0 111.398 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -155.99 135.13 12.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.833 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.23 -177.83 6.84 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.531 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.26 165.52 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.877 0.37 . . . . 0.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.4 128.87 3.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.787 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.44 88.42 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.91 48.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.41 133.08 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.24 139.24 33.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.7 m -130.1 114.54 15.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.386 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t 65.32 85.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.642 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.562 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.14 136.3 48.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.678 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m 53.89 95.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.13 129.28 6.93 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -135.22 147.57 49.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.674 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 49.3 m 50.02 42.74 25.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.683 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.53 107.19 18.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -140.89 115.0 9.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -118.37 127.75 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.703 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.02 124.35 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.382 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -73.33 -54.64 7.87 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.363 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.35 -171.22 2.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.974 0.416 . . . . 0.0 110.861 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 65.76 69.29 1.39 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' G' ' 49' ' ' GLY . 87.9 m-85 28.85 78.31 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 O-C-N 124.119 0.541 . . . . 0.0 111.887 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.41 -63.0 3.98 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -139.02 80.34 1.78 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.842 0.353 . . . . 0.0 110.198 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 20.5 t -138.91 127.66 23.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.905 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.34 166.59 20.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.508 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 57.88 49.33 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.724 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 73.1 m -60.99 -39.34 89.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.488 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 91.2 p -150.96 159.66 44.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -142.44 128.65 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.83 -152.38 48.45 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.02 115.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.431 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.9 153.23 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.895 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.71 107.94 20.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.312 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.72 104.6 16.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.774 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 96.3 m -119.39 127.99 53.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.493 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.84 -164.56 0.47 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -53.98 23.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.624 0.25 . . . . 0.0 110.902 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.31 -94.06 0.88 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 19.5 p -114.92 113.36 24.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 0.0 110.38 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.56 142.81 3.23 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.086 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -107.53 124.02 49.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.397 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.32 174.51 5.9 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.787 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . 0.405 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 76.4 Cg_exo -47.65 -179.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.84 2.36 . . . . 0.0 113.694 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.15 110.91 3.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.205 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.86 -85.69 0.4 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.82 49.24 0.91 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.425 0.631 . . . . 0.0 110.798 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.24 128.19 43.48 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 91.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.786 0.327 . . . . 0.0 110.61 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.4 102.87 9.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.365 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.06 -146.7 13.3 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.03 71.65 0.57 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -52.0 140.44 20.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.887 0.375 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.45 -47.27 0.66 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 171.28 130.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.96 94.2 3.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.535 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.63 98.63 6.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.369 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.47 -177.55 5.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 111.399 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.93 135.11 12.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.803 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.26 -177.84 6.84 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.42 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.2 165.52 7.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.813 0.34 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.33 128.89 3.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.57 88.49 2.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.86 48.4 0.02 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.42 133.11 42.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.586 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.26 33.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.1 m -130.11 114.54 15.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.374 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t 65.34 85.98 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.652 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.598 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.21 136.27 48.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.68 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m 53.89 95.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.07 129.34 6.96 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -135.27 147.58 49.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.691 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 49.2 m 50.01 42.68 25.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.724 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.51 107.22 18.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.96 115.02 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.757 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -118.36 127.8 54.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.677 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -148.02 124.4 10.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.404 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.44 -54.64 7.8 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.304 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.27 -171.22 2.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.932 0.396 . . . . 0.0 110.911 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 65.73 69.42 1.35 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' H' ' 49' ' ' GLY . 88.0 m-85 28.77 78.28 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 O-C-N 124.209 0.594 . . . . 0.0 111.83 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.39 -63.02 3.96 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -138.95 80.34 1.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.79 0.329 . . . . 0.0 110.268 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 21.3 t -138.92 127.59 23.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.918 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 62.2 m -131.33 166.65 20.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 57.89 49.27 12.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.81 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 73.0 m -61.0 -39.38 89.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.433 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 91.6 p -150.87 159.67 44.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.535 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -142.43 128.68 19.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.77 -152.29 48.4 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.04 115.0 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.408 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.87 153.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.883 0.373 . . . . 0.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.78 108.01 20.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.294 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.81 104.6 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -119.44 128.14 53.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.04 -164.54 0.5 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -54.02 22.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.569 0.223 . . . . 0.0 110.89 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.28 -94.15 0.89 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 19.6 p -114.79 113.43 24.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.413 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.58 142.88 3.23 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.05 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 67.5 m -107.67 124.05 49.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.356 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.33 174.52 5.87 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.786 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . 0.405 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 76.0 Cg_exo -47.72 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.819 2.346 . . . . 0.0 113.665 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.11 111.01 3.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.213 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.74 -85.66 0.4 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.74 49.13 0.91 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.439 0.637 . . . . 0.0 110.817 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.12 128.23 43.35 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.17 91.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.579 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.33 102.93 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.418 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.12 -146.73 13.27 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.04 71.72 0.56 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.13 140.43 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 110.902 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.48 -47.19 0.66 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.22 130.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.29 . . . . 0.0 110.259 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.96 94.16 3.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.59 98.64 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.331 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.52 -177.68 5.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.985 0.421 . . . . 0.0 111.386 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 48.1 t -155.83 135.12 12.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.808 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.28 -177.92 6.9 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.443 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 87.2 p -171.16 165.56 7.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.89 0.376 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -163.36 128.87 3.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.776 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.57 88.65 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.83 48.41 0.02 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.38 133.08 42.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.709 0.29 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.21 33.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.07 114.47 15.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.425 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t 65.34 86.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.594 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.577 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.32 136.25 48.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.667 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m 53.87 95.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.16 129.35 6.94 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -135.22 147.75 49.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.317 . . . . 0.0 110.645 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 49.2 m 49.86 42.71 24.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.707 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.54 107.15 18.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.84 115.33 9.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -118.67 127.77 53.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -147.84 125.53 11.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.34 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -74.67 -54.61 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.063 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -132.39 -171.16 2.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.955 0.407 . . . . 0.0 110.819 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 65.72 69.39 1.36 Allowed Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' I' ' 49' ' ' GLY . 87.8 m-85 28.55 79.11 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.195 0.585 . . . . 0.0 111.734 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.96 -63.14 4.1 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -139.08 80.61 1.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.846 0.355 . . . . 0.0 110.208 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 22.2 t -139.18 127.46 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.79 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 61.3 m -131.28 166.6 20.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 57.94 49.27 12.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.73 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.04 -39.34 89.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.419 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 90.7 p -150.93 159.7 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -142.45 128.64 19.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.84 -152.28 48.55 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.24 114.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.639 0.257 . . . . 0.0 110.475 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 176.07 153.3 0.17 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -99.78 107.94 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.28 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.77 104.58 16.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.4 m -119.31 128.26 53.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.391 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.1 -164.39 0.5 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.14 -54.0 23.71 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.219 -0.192 . . . . 0.0 110.795 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.38 -94.21 0.89 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -114.78 113.39 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -168.58 142.91 3.24 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.8 m -107.31 124.81 50.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.346 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.92 174.41 5.95 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.658 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -47.98 -179.12 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.838 2.359 . . . . 0.0 113.437 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.18 111.35 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.268 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.88 -85.55 0.39 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.44 48.3 0.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.229 0.538 . . . . 0.0 110.792 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.36 128.35 41.45 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.08 91.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.814 0.34 . . . . 0.0 110.539 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.22 102.83 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.508 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.97 -146.54 13.24 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 71.71 0.56 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -52.14 140.74 20.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.046 0.451 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.37 -47.1 0.67 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 171.23 130.38 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.706 0.289 . . . . 0.0 110.236 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.02 94.22 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.524 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.62 98.53 6.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.53 -178.25 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.975 0.417 . . . . 0.0 111.373 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.24 135.19 12.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.895 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.51 -178.72 7.48 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.378 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -170.45 165.67 8.55 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -163.25 129.24 3.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.77 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -141.91 89.78 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.614 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 148.91 48.49 0.02 OUTLIER Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.32 132.94 42.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 0.0 110.587 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.2 33.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.16 114.7 16.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.347 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t 65.23 86.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.599 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -127.41 141.06 51.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.562 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m 56.02 94.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.32 156.23 23.33 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.84 -173.58 2.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 0.0 110.516 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.5 t -57.76 140.05 52.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -131.27 145.09 51.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.774 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -138.46 123.16 18.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.5 m -129.77 129.36 44.0 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.5 132.07 14.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.249 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.53 -50.38 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.077 0.465 . . . . 0.0 110.922 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.4 t -132.68 -154.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.218 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.29 54.22 17.76 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.813 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 52.45 -174.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.185 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.53 -54.36 1.34 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -160.63 -78.77 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.595 0.236 . . . . 0.0 110.741 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.1 m -129.67 126.25 37.9 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.901 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -100.2 126.46 46.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.443 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.65 137.71 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.667 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.0 m -132.54 104.0 6.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.48 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.76 110.78 22.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.671 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.97 174.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.69 -161.5 51.22 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 52.54 -177.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.795 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.9 -33.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.39 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -123.07 105.46 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.489 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -94.76 103.98 15.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -120.47 133.28 55.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.754 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.66 -161.45 0.11 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.98 -53.85 14.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.984 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.83 -100.51 1.18 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -116.15 112.79 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.98 0.419 . . . . 0.0 110.55 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.95 152.69 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.381 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -112.71 121.29 44.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.429 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.04 173.7 6.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.999 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' B' ' 72' ' ' PRO . 81.3 Cg_exo -45.19 170.25 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.546 2.164 . . . . 0.0 113.622 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -144.95 111.28 5.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.689 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 124.56 -79.95 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.67 -61.38 1.43 Allowed 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.239 -0.184 . . . . 0.0 110.714 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.51 112.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.3 p 47.75 91.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 m -82.03 110.35 17.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.143 0.497 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.35 -142.84 10.66 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.2 74.4 0.26 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.8 138.58 53.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.7 0.285 . . . . 0.0 110.973 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.75 -45.45 0.68 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.47 132.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.796 0.332 . . . . 0.0 110.198 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.23 95.26 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.7 91.95 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.3 p -147.52 -176.55 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.048 0.451 . . . . 0.0 111.43 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -161.93 141.44 9.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.32 -176.11 5.43 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.143 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -169.7 178.32 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.817 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.5 155.02 31.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.205 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -67.58 0.85 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.831 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.71 103.91 0.18 Allowed Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.766 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.66 159.22 21.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.687 0.279 . . . . 0.0 110.264 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -129.42 140.79 51.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -131.07 125.32 32.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.8 t 59.3 -166.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.546 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.589 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -127.44 140.99 51.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.553 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m 56.06 94.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.25 156.27 23.32 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.73 -173.25 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.737 0.303 . . . . 0.0 110.584 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -58.08 140.06 53.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.756 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.16 145.35 51.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.804 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -138.59 123.18 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.312 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.7 m -129.82 129.13 43.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 111.345 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.23 132.06 15.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.374 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.77 -50.41 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.811 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.5 t -132.4 -153.28 0.54 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.33 56.36 12.24 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.364 -0.922 . . . . 0.0 111.446 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 50.35 -173.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.495 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.75 -54.52 1.3 Allowed Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -160.73 -79.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.592 0.234 . . . . 0.0 110.63 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.8 m -129.46 126.33 38.47 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.083 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 71.1 m -100.09 126.22 46.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.61 47.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.674 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m -132.53 103.88 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 40.2 t -108.56 110.72 22.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.92 174.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.809 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.59 -161.42 51.05 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.66 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.971 0.415 . . . . 0.0 110.772 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.94 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.357 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -122.94 105.4 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.556 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.74 103.94 15.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.552 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -120.26 133.38 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.744 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.63 -161.34 0.1 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.18 -53.92 15.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.613 0.244 . . . . 0.0 110.812 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.94 -100.65 1.19 Allowed Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.507 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -115.82 112.68 22.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.597 0.237 . . . . 0.0 110.64 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.01 152.26 5.1 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.406 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -112.25 121.21 44.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.369 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.66 173.91 6.72 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.916 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 85.9 Cg_exo -45.01 171.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.629 2.219 . . . . 0.0 113.395 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -146.68 110.55 4.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.845 -1.071 . . . . 0.0 108.64 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.18 -79.69 0.36 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.5 -61.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.715 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.65 113.17 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 90.5 p 47.7 91.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.926 0.393 . . . . 0.0 110.754 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 41.4 m -81.77 110.28 16.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.401 . . . . 0.0 110.964 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.47 -142.45 10.43 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.1 74.54 0.25 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.97 138.82 53.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.916 0.388 . . . . 0.0 110.978 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.69 -45.31 0.69 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.38 132.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.771 0.319 . . . . 0.0 110.249 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.21 95.3 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.6 91.57 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.269 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 59.2 p -147.06 -176.5 5.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.035 0.445 . . . . 0.0 111.482 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 47.2 t -161.9 141.37 9.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.009 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.33 -175.98 5.35 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.313 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 22.5 t -169.74 178.25 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 154.82 31.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.278 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.99 -67.55 0.85 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.79 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.73 103.7 0.18 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.659 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.48 159.04 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.649 0.261 . . . . 0.0 110.407 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.32 140.85 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.7 m -131.04 125.4 33.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.32 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 11.7 t 59.12 -166.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.586 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 66.1 t80 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.521 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.46 140.92 51.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m 56.06 94.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.33 156.32 23.39 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.78 -173.25 2.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.753 0.311 . . . . 0.0 110.606 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 40.2 t -58.11 140.15 53.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.662 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.13 145.37 51.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -138.7 123.15 18.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.247 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -129.75 129.08 43.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 111.405 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.26 132.13 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.332 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.74 -50.56 9.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -132.41 -153.24 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.3 56.33 12.4 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.514 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 50.4 -173.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.551 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.87 -54.52 1.29 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.74 -79.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.547 0.213 . . . . 0.0 110.575 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 70.9 m -129.3 126.41 38.94 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.093 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 71.7 m -100.25 126.25 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.69 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.643 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 62.6 m -132.56 103.88 6.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.516 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.58 110.76 22.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.778 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.88 174.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.42 51.25 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.58 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.382 . . . . 0.0 110.792 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 4.3 t -171.87 -33.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.359 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -122.99 105.49 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -94.91 103.93 15.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.25 133.4 55.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.73 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.76 -161.33 0.11 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -53.99 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.608 0.242 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.05 -100.63 1.18 Allowed Glycine 0 CA--C 1.523 0.539 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.443 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -115.91 112.83 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.633 0.254 . . . . 0.0 110.621 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.09 152.29 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.371 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -112.23 121.25 44.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.392 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.74 173.99 6.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.813 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . 0.421 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 87.3 Cg_exo -45.0 172.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.716 2.278 . . . . 0.0 113.312 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -146.89 110.54 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.61 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.22 -79.57 0.36 Allowed Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 -178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.69 -61.4 1.43 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.724 0.297 . . . . 0.0 110.686 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.76 113.18 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 90.3 p 47.6 91.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.972 0.415 . . . . 0.0 110.748 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 41.8 m -81.79 110.45 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.409 . . . . 0.0 110.964 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.42 -142.57 10.5 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.18 74.58 0.24 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.96 138.86 53.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.961 0.41 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.62 -45.3 0.69 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.67 0.271 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 70.3 m -128.16 95.2 4.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.66 91.59 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.244 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 59.1 p -147.01 -176.53 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 111.479 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -161.89 141.47 9.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.004 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.34 -176.07 5.4 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.367 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 22.5 t -169.65 178.24 4.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.915 0.388 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.32 154.98 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.212 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -67.61 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.761 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.67 103.67 0.18 Allowed Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.613 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.57 159.07 21.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.656 0.265 . . . . 0.0 110.373 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.43 140.79 51.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.04 125.3 32.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.341 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 11.6 t 59.29 -166.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.619 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.579 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -127.47 140.98 51.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.492 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m 56.06 94.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.28 156.28 23.34 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.79 -173.14 2.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.745 0.307 . . . . 0.0 110.473 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -58.09 140.28 52.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.682 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -131.29 145.36 51.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -138.66 123.12 18.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.38 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -129.79 128.93 43.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.349 . . . . 0.0 111.428 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.09 132.1 15.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.311 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.84 -50.63 9.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 110.693 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 15.6 t -132.26 -153.21 0.54 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.5 56.25 12.32 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.492 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' E' ' 49' ' ' GLY . 35.2 m-85 50.41 -173.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.453 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.9 -54.48 1.29 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.78 -79.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 110.566 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -129.32 126.41 38.91 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.065 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.26 126.09 46.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.563 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.4 137.62 46.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.753 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 62.5 m -132.46 103.79 6.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 40.4 t -108.52 110.74 22.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.795 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.9 174.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.65 -161.38 51.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.57 -177.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.779 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -172.07 -33.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.05 105.39 9.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.547 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -94.91 104.03 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -120.5 133.24 55.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.62 -161.36 0.1 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.06 -53.68 15.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.661 0.267 . . . . 0.0 110.932 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.64 -100.53 1.2 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -115.86 112.6 22.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.616 0.246 . . . . 0.0 110.894 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.07 152.41 5.11 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.387 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -112.34 121.42 44.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.329 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.88 173.93 6.65 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.773 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 84.8 Cg_exo -45.01 172.01 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.596 2.197 . . . . 0.0 113.361 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -146.9 110.51 4.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.696 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.17 -79.6 0.36 Allowed Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.159 -1.177 . . . . 0.0 110.159 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.64 -61.58 1.41 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.687 0.279 . . . . 0.0 110.665 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.89 113.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 89.7 p 47.76 91.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.902 0.382 . . . . 0.0 110.738 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 41.2 m -81.64 110.35 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.891 0.377 . . . . 0.0 111.029 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.62 -142.58 10.42 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.17 74.64 0.24 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.84 138.81 52.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.87 0.366 . . . . 0.0 111.081 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.61 -45.14 0.7 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.28 132.48 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.761 0.315 . . . . 0.0 110.226 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -128.1 95.12 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.609 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.56 91.62 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.209 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 58.8 p -147.02 -176.5 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.069 0.461 . . . . 0.0 111.444 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 47.3 t -161.9 141.38 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.973 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.31 -176.1 5.42 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.325 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 22.7 t -169.6 178.21 4.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.888 0.375 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.33 154.93 31.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.185 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.24 -67.39 0.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.804 -0.359 . . . . 0.0 111.838 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.72 103.6 0.18 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.601 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.5 159.04 21.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.671 0.272 . . . . 0.0 110.38 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.38 140.75 51.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.342 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.06 125.24 32.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.305 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 11.8 t 59.31 -166.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.472 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -127.54 140.92 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.671 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m 56.07 94.02 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.406 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.45 156.28 23.43 Favored Glycine 0 C--N 1.338 0.694 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.76 -173.19 2.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.751 0.31 . . . . 0.0 110.561 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -58.15 140.2 53.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.733 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -131.24 145.34 51.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -138.64 123.16 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.299 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 97.4 m -129.86 128.98 43.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 111.359 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -150.03 132.8 15.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.331 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.12 -48.3 10.0 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 119.719 -0.792 . . . . 0.0 111.231 -179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 14.8 t -130.83 -152.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 70.67 49.0 32.27 Favored Glycine 0 C--N 1.343 0.931 0 C-N-CA 118.107 -1.997 . . . . 0.0 112.585 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 53.94 -174.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.377 0.588 . . . . 0.0 109.854 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.49 -53.79 1.3 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -160.62 -81.57 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 68.0 m -128.64 127.18 41.7 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.295 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 73.5 m -101.74 126.22 48.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.112 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.62 47.12 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.662 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 62.5 m -132.52 103.87 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.564 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.65 110.85 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 55.8 174.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.77 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.35 51.3 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.47 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.88 -33.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.361 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -123.06 105.4 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.8 103.87 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.602 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 97.8 m -120.21 133.36 55.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.56 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.07 -162.13 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.49 -54.59 11.1 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.677 0.275 . . . . 0.0 110.558 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.2 -100.51 1.16 Allowed Glycine 0 CA--C 1.522 0.525 0 CA-C-O 119.266 -0.741 . . . . 0.0 111.513 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -116.07 112.05 21.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.687 0.875 . . . . 0.0 110.48 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.34 152.9 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.33 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 95.3 p -112.87 122.68 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 119.178 -0.439 . . . . 0.0 110.18 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.0 173.9 6.5 Favored Pre-proline 0 C--N 1.327 -0.397 0 O-C-N 124.895 1.372 . . . . 0.0 109.351 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . 0.427 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 88.1 Cg_exo -45.01 171.91 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.632 2.221 . . . . 0.0 113.29 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -146.54 114.08 6.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.62 -81.64 0.35 Allowed Glycine 0 CA--C 1.541 1.666 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.82 -60.08 1.6 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.824 0.312 . . . . 0.0 111.022 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.11 113.45 0.01 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 93.6 p 46.61 93.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.136 0.493 . . . . 0.0 110.418 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 42.1 m -82.64 110.68 17.92 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.68 -142.19 10.22 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.91 74.62 0.24 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -57.32 138.63 54.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.916 0.388 . . . . 0.0 111.005 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.89 -43.37 0.75 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 169.23 132.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.85 0.357 . . . . 0.0 110.096 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 70.0 m -128.38 94.75 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.7 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.08 90.71 3.4 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.741 0.651 . . . . 0.0 110.265 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 59.4 p -146.66 -176.81 5.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.016 0.436 . . . . 0.0 111.469 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 47.3 t -161.73 141.37 10.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.962 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.37 -176.12 5.43 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.317 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -169.38 178.6 4.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.88 0.371 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.23 154.83 31.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.143 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -66.04 0.95 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.05 101.71 0.16 Allowed Glycine 0 C--N 1.34 0.794 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.833 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -82.48 159.11 22.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 0.0 110.321 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.39 140.77 51.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -130.91 125.19 32.86 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.175 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 11.9 t 59.61 -166.15 0.19 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.981 0.801 . . . . 0.0 110.403 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.489 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -127.39 141.01 51.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.546 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m 56.11 94.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.742 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.41 156.29 23.42 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.74 -173.18 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.519 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 40.4 t -58.11 140.09 53.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.675 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.13 145.3 51.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -138.68 123.21 18.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.273 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 97.1 m -129.98 129.26 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.971 0.415 . . . . 0.0 111.246 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.27 132.16 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.348 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.76 -50.52 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.813 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -132.38 -153.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.32 56.38 12.18 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.472 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 50.35 -173.93 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.642 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.71 -54.51 1.31 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -160.77 -78.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.565 0.221 . . . . 0.0 110.618 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -129.46 126.47 38.79 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.094 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 71.3 m -100.26 126.21 46.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.51 137.69 46.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 62.9 m -132.53 103.81 6.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 40.2 t -108.57 110.8 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.89 174.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.58 -161.43 51.01 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 52.66 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 110.737 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.92 -33.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.17 105.53 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -95.0 103.97 15.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.607 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -120.11 133.77 55.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.545 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -161.19 0.11 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.15 -54.23 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.649 0.261 . . . . 0.0 110.885 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.21 -100.84 1.18 Allowed Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.505 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -115.6 112.87 22.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.573 0.225 . . . . 0.0 110.529 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.1 152.38 5.07 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.374 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 97.1 p -112.34 121.23 44.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.353 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.8 173.98 6.6 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.726 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . 0.425 ' O ' ' HA ' ' E' ' 72' ' ' PRO . 87.8 Cg_exo -45.07 172.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.715 2.277 . . . . 0.0 113.267 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -146.9 110.51 4.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.598 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.21 -79.7 0.36 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.47 -61.5 1.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.786 0.327 . . . . 0.0 110.596 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.73 113.19 0.01 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 88.9 p 47.6 91.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.958 0.408 . . . . 0.0 110.758 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 42.3 m -81.79 110.46 17.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.997 0.427 . . . . 0.0 110.991 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.42 -142.57 10.5 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.24 74.45 0.26 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.81 138.85 52.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.842 0.353 . . . . 0.0 110.965 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.61 -45.19 0.69 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.35 132.55 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.777 0.323 . . . . 0.0 110.184 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 70.8 m -128.19 95.14 4.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.52 91.55 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.22 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 59.0 p -147.0 -176.4 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.044 0.449 . . . . 0.0 111.477 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 47.2 t -162.01 141.31 9.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.007 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.28 -175.97 5.35 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.412 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.72 178.25 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 154.9 31.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.244 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.12 -67.64 0.85 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.682 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.68 103.75 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.583 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.56 159.03 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.27 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.42 140.74 51.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -130.96 125.41 33.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.362 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 11.8 t 59.22 -166.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.518 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.38 141.01 51.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.553 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m 56.11 94.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.782 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.39 156.3 23.41 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.78 -173.16 2.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.604 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 40.4 t -58.02 140.06 53.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.699 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.17 145.36 51.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 44.0 t -138.62 123.27 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.234 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -129.9 129.1 43.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.95 0.405 . . . . 0.0 111.345 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.21 132.11 15.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.385 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.79 -50.53 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.791 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 15.8 t -132.39 -153.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.33 56.31 12.39 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.487 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 50.55 -173.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.528 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.94 -54.51 1.29 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -160.75 -79.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.599 0.238 . . . . 0.0 110.622 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 70.9 m -129.32 126.37 38.8 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.086 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.14 126.19 46.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.544 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.48 137.6 47.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.752 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 62.4 m -132.48 103.91 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.486 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.69 110.8 22.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.715 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.85 174.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.37 51.3 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.53 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.991 0.424 . . . . 0.0 110.732 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 4.3 t -171.87 -33.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.432 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -122.99 105.44 9.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.83 103.95 15.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.15 133.47 55.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.768 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.86 -161.23 0.11 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -53.96 15.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.619 0.247 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.92 -100.7 1.19 Allowed Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.486 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -115.83 112.76 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.666 0.27 . . . . 0.0 110.598 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.01 152.38 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.386 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -112.3 121.19 44.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.401 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.66 173.96 6.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.821 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . 0.424 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 87.5 Cg_exo -45.09 172.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.659 2.239 . . . . 0.0 113.323 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -146.83 110.54 4.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.635 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.2 -79.64 0.36 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.54 -61.6 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.78 0.324 . . . . 0.0 110.615 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.87 113.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 90.4 p 47.62 91.71 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.933 0.397 . . . . 0.0 110.726 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 42.6 m -81.76 110.36 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.388 . . . . 0.0 110.92 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.39 -142.49 10.47 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.05 74.67 0.24 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.94 138.86 53.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.971 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.64 -45.28 0.69 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.4 132.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 70.3 m -128.19 95.22 4.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.52 91.45 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.256 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 58.8 p -146.89 -176.47 5.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 111.532 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -161.96 141.41 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.953 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.25 -175.94 5.35 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.38 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.74 178.24 4.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.31 154.91 31.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.313 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -67.6 0.85 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.707 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.66 103.74 0.18 Allowed Glycine 0 CA--C 1.525 0.68 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.575 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.52 159.1 21.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.594 0.235 . . . . 0.0 110.397 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.4 140.81 51.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -131.03 125.36 33.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.274 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 11.8 t 59.25 -166.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.517 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.483 179.917 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -127.37 141.07 51.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.606 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 50.7 m 56.02 94.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.38 156.31 23.41 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.8 -173.09 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.542 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 40.4 t -58.21 140.17 53.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.686 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.23 145.31 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -138.65 123.25 18.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.275 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -129.83 129.13 43.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.87 0.367 . . . . 0.0 111.373 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.27 132.04 15.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.381 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.71 -50.58 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.767 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 15.6 t -132.4 -153.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.37 56.3 12.38 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.3 -0.952 . . . . 0.0 111.551 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 50.47 -173.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.549 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.89 -54.48 1.29 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.74 -78.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.542 0.211 . . . . 0.0 110.624 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -129.36 126.48 39.0 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.037 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.31 126.18 46.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.547 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.47 137.7 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m -132.6 103.95 6.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.485 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.66 110.79 22.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.93 174.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.72 -161.39 51.37 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.54 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.788 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.9 -33.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.382 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.02 105.42 9.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.536 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.9 103.95 15.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.19 133.54 55.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.799 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.83 -161.31 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -54.04 14.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.644 0.259 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.01 -100.77 1.19 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -115.75 112.84 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.623 0.249 . . . . 0.0 110.627 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.09 152.27 5.04 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.366 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 97.1 p -112.14 121.13 44.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.62 173.94 6.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.843 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . 0.424 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 85.6 Cg_exo -45.08 172.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.56 2.174 . . . . 0.0 113.365 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -146.86 110.62 4.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.649 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.18 -79.73 0.36 Allowed Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.48 -61.47 1.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.87 0.367 . . . . 0.0 110.732 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.8 113.24 0.01 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 90.4 p 47.56 91.78 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.986 0.422 . . . . 0.0 110.693 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 42.2 m -81.73 110.44 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.932 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.46 -142.49 10.45 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.1 74.66 0.24 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.94 138.87 53.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.935 0.398 . . . . 0.0 110.936 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.6 -45.23 0.69 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.39 132.58 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.741 0.305 . . . . 0.0 110.247 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.23 95.09 4.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.619 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.49 91.52 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.293 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 58.7 p -146.92 -176.44 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.499 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -161.96 141.34 9.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.984 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.29 -176.09 5.42 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.326 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.63 178.26 4.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.32 154.9 31.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.324 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.2 -67.67 0.84 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.657 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.62 103.78 0.18 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.583 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.66 158.98 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.665 0.269 . . . . 0.0 110.363 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.29 140.83 51.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -131.09 125.36 32.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.295 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 11.8 t 59.27 -166.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.526 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -127.48 141.01 51.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.46 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m 56.1 94.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.33 156.38 23.42 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.68 -172.72 2.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.743 0.306 . . . . 0.0 110.581 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -58.54 140.27 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.613 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -131.34 145.32 51.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.788 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -138.6 123.17 18.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.339 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 99.7 m -129.98 129.1 43.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 0.0 111.315 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.19 132.51 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.342 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.34 -50.95 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.588 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -131.93 -153.16 0.54 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.46 56.25 12.37 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.478 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 50.6 -173.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.528 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.14 -54.69 1.25 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.48 -78.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.644 0.259 . . . . 0.0 110.608 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 71.1 m -129.22 127.36 41.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 72.2 m -101.12 126.03 47.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.389 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.52 137.78 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.63 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -132.49 103.96 6.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.457 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 40.0 t -108.82 110.8 22.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.683 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.88 174.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.75 -161.38 51.46 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.55 -177.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 4.5 t -171.97 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.384 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -123.02 105.43 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.88 103.97 15.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -120.06 133.75 55.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.709 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.99 -161.12 0.11 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.37 -53.98 15.62 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.702 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.05 -100.73 1.19 Allowed Glycine 0 CA--C 1.524 0.613 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.385 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 20.4 p -115.79 112.86 22.61 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.249 -0.18 . . . . 0.0 110.583 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.1 152.31 5.05 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.242 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 97.2 p -112.03 122.1 46.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.223 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.33 173.71 6.88 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.609 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . 0.41 ' O ' ' HA ' ' H' ' 72' ' ' PRO . 89.1 Cg_exo -45.29 172.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.621 2.214 . . . . 0.0 113.243 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -146.95 110.91 5.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.674 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.2 -79.61 0.36 Allowed Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.15 -61.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.467 . . . . 0.0 110.618 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.02 113.4 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 92.3 p 47.49 91.85 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.907 0.384 . . . . 0.0 110.67 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 43.9 m -81.53 110.49 16.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.014 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.5 -142.36 10.37 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.23 74.59 0.24 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.94 139.19 52.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.029 0.442 . . . . 0.0 110.927 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.49 -45.21 0.7 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.37 132.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.702 0.287 . . . . 0.0 110.273 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -128.15 95.27 4.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.559 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -115.56 91.47 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.19 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 60.9 p -147.08 -177.21 5.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.07 0.462 . . . . 0.0 111.482 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -161.21 141.53 10.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.021 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.45 -176.39 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.278 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 22.2 t -169.33 178.34 4.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.26 154.7 31.12 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.307 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.27 -67.62 0.85 Allowed 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.599 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.7 103.51 0.18 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.39 -0.909 . . . . 0.0 111.504 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.4 158.85 21.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.7 0.285 . . . . 0.0 110.488 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -129.31 140.78 51.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.07 125.26 32.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.326 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 11.8 t 59.3 -166.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.542 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.487 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.2 p . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.13 90.23 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.2 m -117.85 150.62 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.57 -99.95 0.71 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -143.93 164.18 31.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.953 0.406 . . . . 0.0 110.716 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.3 t -136.2 144.22 44.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.475 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.24 -170.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.67 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.87 140.31 58.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -124.9 129.53 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.425 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -148.76 126.5 11.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.359 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.5 m -67.78 -59.27 3.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.027 0.441 . . . . 0.0 111.402 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.3 t -132.63 -163.77 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.802 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.88 67.96 1.89 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 34.79 79.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.028 0.487 . . . . 0.0 111.621 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.57 -62.65 4.67 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.41 78.46 1.64 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.817 0.342 . . . . 0.0 110.15 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 t -133.75 129.25 36.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.924 0.393 . . . . 0.0 110.993 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.0 m -119.32 151.34 38.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.51 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.65 128.54 54.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.7 m -139.34 34.81 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -70.0 161.88 29.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -125.63 148.46 48.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.612 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.01 -155.67 50.97 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.91 130.39 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.49 111.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.709 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.08 122.36 24.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.47 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.49 105.06 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.595 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -120.34 129.46 53.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.411 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.96 -163.68 0.63 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.97 -55.67 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 0.0 110.954 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.27 -100.07 1.25 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -111.63 111.04 21.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 0.0 110.38 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.62 167.75 15.1 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.385 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.76 125.66 42.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.632 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 173.49 6.71 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.929 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' B' ' 72' ' ' PRO . 83.2 Cg_exo -44.5 167.39 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.463 2.109 . . . . 0.0 113.278 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -140.86 111.43 6.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.956 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.01 -84.84 0.37 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -59.04 1.93 Allowed 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.666 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.67 102.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.84 119.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.5 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m -109.65 100.03 9.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.802 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.86 -147.27 16.13 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.04 72.53 0.43 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -51.64 141.41 16.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.642 0.258 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.52 -47.57 0.67 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.74 0.305 . . . . 0.0 110.306 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.6 m -132.8 93.64 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.58 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.47 97.42 6.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.201 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.5 m -146.42 -179.84 7.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.993 0.425 . . . . 0.0 111.08 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -160.51 126.38 4.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.267 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -141.83 -178.32 5.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.713 0.292 . . . . 0.0 110.546 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -170.59 161.11 7.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.775 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.0 t -163.94 140.68 6.76 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.782 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -142.69 76.55 1.54 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.29 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.72 52.24 0.08 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -97.59 112.74 24.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.695 0.283 . . . . 0.0 110.809 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.12 125.44 33.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.369 . . . . 0.0 110.951 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.38 105.18 8.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.228 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.96 167.81 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.579 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.576 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 55.9 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.17 90.21 4.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.6 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.4 m -117.82 150.64 38.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.544 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.6 -100.05 0.71 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -143.79 164.22 31.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.786 0.327 . . . . 0.0 110.818 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 43.3 t -136.17 144.35 44.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.33 -170.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.635 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.88 140.35 58.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -124.95 129.59 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.431 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.82 126.52 11.77 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -67.84 -59.74 3.06 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.361 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.19 -163.55 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.68 68.67 1.56 Allowed Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.92 79.26 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.017 0.48 . . . . 0.0 111.67 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.81 -62.71 4.7 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.25 78.39 1.64 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.778 0.323 . . . . 0.0 110.254 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.6 t -133.79 128.77 35.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.114 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.75 151.48 37.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.6 128.59 54.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -139.41 34.82 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.499 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.1 p -69.99 161.88 29.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.614 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.57 148.51 48.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.506 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.97 -155.67 51.01 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.9 130.49 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.61 110.71 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.685 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.79 122.38 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.571 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.45 104.89 16.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.7 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -120.17 129.6 54.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.478 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.17 -163.63 0.67 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.09 -55.62 11.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.668 0.271 . . . . 0.0 110.907 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.38 -100.32 1.27 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 22.0 p -111.23 110.89 21.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.699 0.285 . . . . 0.0 110.444 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.5 167.9 15.21 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.449 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.84 125.48 41.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.661 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.91 173.65 6.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.833 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 89.1 Cg_exo -44.35 169.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.567 2.178 . . . . 0.0 113.066 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -142.67 110.56 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.938 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.03 -84.67 0.37 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.404 ' CZ ' ' OG ' ' B' ' 86' ' ' SER . 0.1 OUTLIER -95.83 -59.19 1.91 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.672 0.272 . . . . 0.0 110.675 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.95 103.19 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.47 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.55 100.06 9.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.8 -146.57 15.29 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.77 72.61 0.41 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.74 141.75 16.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.905 0.383 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.57 0.67 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.13 131.07 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.697 0.284 . . . . 0.0 110.308 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -132.77 93.76 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.41 97.31 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.282 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' SER . . . . . 0.404 ' OG ' ' CZ ' ' B' ' 75' ' ' TYR . 49.9 m -146.31 -179.97 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 111.204 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.45 126.29 4.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.348 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.77 -178.4 5.65 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.696 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.4 p -170.43 161.05 7.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.819 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 40.4 t -163.7 140.77 7.1 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.93 78.22 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.61 52.28 0.07 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.62 112.72 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.18 125.5 33.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.95 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.13 8.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.226 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.96 167.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.532 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 63.1 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.575 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.12 90.11 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 71.0 m -117.76 150.69 38.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.495 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.71 -100.05 0.72 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -143.78 164.25 31.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.825 0.345 . . . . 0.0 110.796 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 43.3 t -136.2 144.29 44.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.556 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.25 -170.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.66 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.98 140.32 58.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.3 m -124.83 129.55 50.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -148.81 126.57 11.81 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 23.3 m -67.82 -59.79 3.03 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.43 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.27 -163.56 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.799 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.7 68.77 1.52 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.75 79.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.03 0.488 . . . . 0.0 111.733 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.83 -62.71 4.71 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -141.26 78.41 1.64 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 16.7 t -133.82 128.67 35.19 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.178 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 68.6 m -118.72 151.5 37.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.511 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.56 128.63 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -139.47 34.71 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.493 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -69.98 161.91 29.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.6 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.64 148.48 48.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.549 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.0 -155.55 50.87 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -66.96 130.47 43.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.514 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.59 110.71 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.684 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.71 122.34 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.552 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.5 105.02 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -120.15 129.6 54.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.478 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.19 -163.58 0.67 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.08 -55.72 11.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.676 0.274 . . . . 0.0 110.854 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.4 -100.27 1.26 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -111.35 110.94 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.702 0.287 . . . . 0.0 110.405 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.46 167.97 15.22 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.41 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -126.91 125.56 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.533 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.08 173.74 6.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.732 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . 0.437 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 89.4 Cg_exo -44.34 169.11 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.578 2.185 . . . . 0.0 113.005 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -142.75 110.51 5.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.925 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.04 -84.66 0.37 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . 0.406 ' CZ ' ' OG ' ' C' ' 86' ' ' SER . 0.1 OUTLIER -95.85 -59.16 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.623 0.249 . . . . 0.0 110.714 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.02 103.18 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.61 99.96 9.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.71 -146.69 15.55 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 72.52 0.42 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.76 141.81 16.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.39 -47.51 0.68 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 110.344 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.81 93.66 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.547 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.3 97.28 6.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.325 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' SER . . . . . 0.406 ' OG ' ' CZ ' ' C' ' 75' ' ' TYR . 50.0 m -146.31 -179.94 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.167 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -160.43 126.25 4.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.334 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.69 -178.36 5.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.729 0.299 . . . . 0.0 110.671 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.9 p -170.47 161.02 7.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.801 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.8 140.7 6.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.981 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.9 78.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.041 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.5 52.33 0.07 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -97.56 112.6 24.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.712 0.292 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.06 125.47 33.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.004 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.41 105.15 8.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.246 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.94 167.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 62.9 t80 . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.523 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.18 90.14 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -117.8 150.66 38.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.559 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.7 -100.05 0.72 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -143.77 164.16 31.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.804 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 43.1 t -136.19 144.33 44.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.509 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.36 -170.5 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.678 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -63.0 140.41 58.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -124.95 129.47 50.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.523 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.67 126.53 11.9 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.642 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 22.9 m -67.96 -59.42 3.28 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.37 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.52 -163.58 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.886 0.374 . . . . 0.0 110.772 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.76 68.83 1.49 Allowed Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.94 79.4 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.964 0.449 . . . . 0.0 111.481 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.03 -62.59 4.87 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -141.31 78.39 1.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.831 0.348 . . . . 0.0 110.225 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 17.2 t -133.88 128.73 35.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.226 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.65 151.43 37.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.5 128.54 54.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.523 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 45.3 m -139.42 34.82 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.507 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.97 161.86 29.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.617 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.57 148.48 48.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.03 -155.63 50.91 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.83 130.45 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.743 0.306 . . . . 0.0 110.464 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 28.3 t -170.61 110.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.664 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.71 122.5 24.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.456 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.66 105.01 16.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -120.43 129.36 53.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.644 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.95 -163.57 0.61 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.27 -55.15 13.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.633 0.254 . . . . 0.0 110.93 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.86 -100.04 1.27 Allowed Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.45 110.5 20.97 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.748 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.28 168.03 15.49 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.426 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.83 125.63 42.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.18 173.62 6.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.748 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 89.2 Cg_exo -44.2 169.06 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.626 2.217 . . . . 0.0 113.052 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -142.75 110.45 5.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.936 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.05 -84.52 0.37 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . 0.406 ' CZ ' ' OG ' ' D' ' 86' ' ' SER . 0.1 OUTLIER -95.87 -59.27 1.89 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.662 0.268 . . . . 0.0 110.721 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.03 103.12 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.68 119.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 0.0 110.505 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.31 99.88 9.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.82 -146.76 15.49 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.91 72.66 0.41 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -51.84 141.75 16.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.49 -47.52 0.67 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.07 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.681 0.276 . . . . 0.0 110.31 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.73 93.71 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.486 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.4 97.42 6.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.22 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 86' ' ' SER . . . . . 0.406 ' OG ' ' CZ ' ' D' ' 75' ' ' TYR . 50.0 m -146.38 179.99 7.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.943 0.401 . . . . 0.0 111.121 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.36 126.27 4.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.368 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.78 -178.4 5.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.704 0.288 . . . . 0.0 110.681 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.3 p -170.39 161.04 7.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 110.759 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.76 140.53 6.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.86 78.59 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.99 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.4 52.39 0.07 OUTLIER Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.68 112.58 24.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.09 125.46 33.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.881 0.372 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.38 105.24 8.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.183 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.87 167.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.58 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 62.8 t80 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.471 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -100.93 89.65 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.771 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 70.2 m -117.5 150.51 38.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.563 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.45 -100.02 0.7 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -143.89 164.26 31.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.832 0.348 . . . . 0.0 110.708 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 43.2 t -136.19 144.34 44.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.535 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.3 -170.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.669 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 37.8 t -62.96 140.3 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -124.91 129.68 50.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.451 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -149.1 127.67 12.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.738 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m -72.45 -54.79 8.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 118.641 -1.224 . . . . 0.0 112.054 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 5.9 t -130.99 -162.96 1.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.207 0.527 . . . . 0.0 111.427 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.18 69.91 1.16 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 31.25 81.92 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 O-C-N 124.551 0.795 . . . . 0.0 110.802 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.35 -64.24 3.77 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -140.76 80.03 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.974 0.416 . . . . 0.0 109.969 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 16.9 t -134.74 128.72 33.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 69.2 m -118.83 151.65 37.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.233 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.7 128.57 54.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 46.0 m -139.36 34.78 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -69.96 161.9 29.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.61 148.48 48.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.95 -155.69 51.04 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.85 130.51 43.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.516 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.62 110.79 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.684 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.84 122.29 23.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.42 104.59 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.739 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -119.97 129.6 54.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.287 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.89 -163.66 0.61 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.0 -56.27 9.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.649 0.261 . . . . 0.0 110.896 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.93 -100.46 1.24 Allowed Glycine 0 N--CA 1.464 0.55 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 21.7 p -111.31 110.51 21.02 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.692 0.29 . . . . 0.0 110.39 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.35 168.08 15.31 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.166 -0.614 . . . . 0.0 111.416 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 66.5 m -127.06 126.16 42.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.52 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.72 173.57 6.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 124.661 1.226 . . . . 0.0 109.392 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . 0.44 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 88.1 Cg_exo -44.55 169.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 122.6 2.2 . . . . 0.0 112.857 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -142.42 114.0 7.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.281 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.81 -85.66 0.39 Allowed Glycine 0 CA--C 1.533 1.182 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' E' ' 86' ' ' SER . 0.1 OUTLIER -95.44 -58.56 2.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.002 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.73 103.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.52 120.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.063 0.459 . . . . 0.0 110.299 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.4 99.69 8.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.063 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.68 -146.47 15.32 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.6 72.89 0.37 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -52.21 141.09 19.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.86 -44.85 0.77 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 168.84 131.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.145 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -132.86 93.2 3.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.628 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -113.87 96.42 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.401 0.438 . . . . 0.0 110.29 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' E' ' 75' ' ' TYR . 49.4 m -145.89 179.92 7.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 0.0 111.165 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -160.42 126.44 4.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.404 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -142.13 -178.54 5.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.52 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 96.4 p -170.02 161.11 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.796 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 40.6 t -162.93 141.05 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.11 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.74 77.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.154 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.32 51.66 0.08 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -96.28 112.4 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -130.94 125.62 33.91 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.035 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.19 105.48 8.59 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.721 0.638 . . . . 0.0 109.755 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.81 167.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.754 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 63.2 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.556 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 56.2 p . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.1 90.2 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -117.86 150.64 38.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.516 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.62 -100.07 0.71 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -143.89 164.17 31.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.788 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 43.1 t -136.14 144.38 45.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.502 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.4 -170.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.588 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 37.0 t -63.03 140.3 58.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -124.81 129.65 50.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.457 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -148.88 126.67 11.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.656 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -67.82 -59.81 3.01 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.364 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.27 -163.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.803 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.56 69.04 1.4 Allowed Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.61 79.28 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.912 0.419 . . . . 0.0 111.747 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.74 -62.8 4.61 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.409 -1.077 . . . . 0.0 110.409 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -141.26 78.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 0.0 110.249 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 16.8 t -133.83 128.68 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.138 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -118.69 151.49 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.501 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.56 128.51 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.522 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -139.43 35.0 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.45 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -70.07 161.92 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -125.64 148.5 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.96 -155.64 50.99 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.86 130.5 43.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.433 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.6 110.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.662 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.9 122.55 24.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.457 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.66 104.83 16.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.72 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -119.9 129.92 54.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.2 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.4 -163.46 0.7 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.02 -56.07 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.684 0.278 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.58 -100.32 1.25 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 21.8 p -111.11 111.05 21.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.668 0.27 . . . . 0.0 110.335 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.55 168.02 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.464 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 65.9 m -126.92 125.53 41.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.614 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.06 173.65 6.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.758 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 88.8 Cg_exo -44.23 169.09 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.692 2.261 . . . . 0.0 113.036 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -142.8 110.4 5.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.904 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.15 -84.81 0.37 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . 0.41 ' CZ ' ' OG ' ' F' ' 86' ' ' SER . 0.1 OUTLIER -95.6 -59.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.625 0.25 . . . . 0.0 110.663 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.07 103.26 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.43 120.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.378 . . . . 0.0 110.488 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.46 100.03 9.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.79 -146.71 15.46 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.84 72.56 0.42 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.72 141.79 16.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.935 0.398 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.54 0.68 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.03 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.743 0.306 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 18.6 m -132.74 93.65 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.35 97.35 6.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 86' ' ' SER . . . . . 0.41 ' OG ' ' CZ ' ' F' ' 75' ' ' TYR . 50.0 m -146.36 179.98 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 111.121 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -160.38 126.33 4.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.338 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.75 -178.31 5.6 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 120.696 0.284 . . . . 0.0 110.714 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -170.47 161.08 7.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.748 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.89 140.74 6.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.988 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.86 78.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.851 -0.339 . . . . 0.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.33 52.37 0.07 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.69 112.58 24.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.712 0.291 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.07 125.46 33.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.964 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.17 8.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.21 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.9 167.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.618 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 t80 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.555 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.18 90.17 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -117.78 150.58 38.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.59 -100.04 0.71 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -143.84 164.12 31.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.795 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 43.1 t -136.16 144.34 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.545 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.22 -170.55 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.694 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -62.94 140.21 58.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.803 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.9 m -124.78 129.54 50.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.502 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -148.77 126.49 11.79 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.588 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -67.85 -59.78 3.03 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.358 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.33 -163.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.714 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.72 68.78 1.51 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 33.84 79.29 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.974 0.455 . . . . 0.0 111.753 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.9 -62.68 4.76 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.31 78.4 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.799 0.333 . . . . 0.0 110.168 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 16.6 t -133.86 128.7 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.092 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -118.7 151.5 37.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.574 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.55 128.43 54.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 46.0 m -139.32 34.91 2.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.491 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 83.1 p -70.03 161.87 29.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -125.61 148.42 48.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.09 -155.65 50.83 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.9 130.42 43.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.53 110.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.84 122.42 24.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.541 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.53 104.96 16.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 93.3 m -120.06 129.59 54.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.462 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.23 -163.48 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.12 -55.75 11.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.708 0.289 . . . . 0.0 110.893 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.35 -100.34 1.27 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.23 110.86 21.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.671 0.272 . . . . 0.0 110.435 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.4 168.01 15.28 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.487 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 65.7 m -126.88 125.6 41.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.616 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.09 173.64 6.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.799 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . 0.441 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 89.2 Cg_exo -44.25 169.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.612 2.208 . . . . 0.0 112.992 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -142.78 110.38 5.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.956 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.19 -84.6 0.37 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . 0.41 ' CZ ' ' OG ' ' G' ' 86' ' ' SER . 0.1 OUTLIER -95.8 -59.35 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.665 0.269 . . . . 0.0 110.619 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.12 103.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 110.476 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.51 99.96 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.75 -146.61 15.39 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 72.56 0.42 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -51.69 141.75 16.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.42 -47.53 0.68 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.09 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.669 0.271 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -132.76 93.64 3.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.548 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.36 97.33 6.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.293 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 86' ' ' SER . . . . . 0.41 ' OG ' ' CZ ' ' G' ' 75' ' ' TYR . 50.2 m -146.28 -179.9 7.06 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.149 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.48 126.27 4.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.294 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.76 -178.35 5.62 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 95.8 p -170.43 161.07 7.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.789 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 40.2 t -163.77 140.75 7.0 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.99 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.98 78.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.27 52.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.67 112.57 24.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.04 125.46 33.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.39 105.13 8.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.199 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.95 167.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.438 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 56.5 p . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.16 90.26 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 70.8 m -117.83 150.65 38.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.581 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.67 -99.99 0.72 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -143.86 164.23 31.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 110.737 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 43.2 t -136.21 144.33 44.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.572 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.31 -170.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.664 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 37.4 t -62.96 140.25 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -124.79 129.64 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.435 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -148.88 126.61 11.78 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.55 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 23.2 m -67.97 -59.77 3.01 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.326 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.27 -163.53 1.35 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.913 0.387 . . . . 0.0 110.708 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.67 68.78 1.52 Allowed Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 33.81 79.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.014 0.479 . . . . 0.0 111.697 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.79 -62.77 4.66 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.24 78.43 1.64 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.786 0.327 . . . . 0.0 110.213 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 17.0 t -133.9 128.59 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.122 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.64 151.56 37.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.59 128.48 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 46.2 m -139.36 34.79 2.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.98 161.93 29.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -125.62 148.45 48.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.98 -155.65 50.98 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.91 130.49 43.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.8 0.334 . . . . 0.0 110.455 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.59 110.72 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.727 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.7 122.36 23.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.572 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.56 104.96 16.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.682 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 94.1 m -120.14 129.71 54.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.387 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.31 -163.49 0.68 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.17 -55.69 11.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.617 0.246 . . . . 0.0 110.896 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.37 -100.41 1.28 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.27 110.9 21.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.638 0.256 . . . . 0.0 110.43 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.46 168.02 15.16 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.42 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 66.0 m -126.88 125.55 41.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.616 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.04 173.61 6.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.716 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . 0.439 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 88.7 Cg_exo -44.3 169.19 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 122.612 2.208 . . . . 0.0 113.045 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -142.85 110.54 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.892 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.19 -84.71 0.37 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' H' ' 86' ' ' SER . 0.1 OUTLIER -95.7 -59.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.633 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.02 103.32 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.42 120.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 0.0 110.489 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.45 99.92 9.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.71 -146.62 15.46 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.86 72.73 0.4 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -51.91 141.83 16.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.964 0.412 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.48 0.68 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.11 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.75 0.31 . . . . 0.0 110.297 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -132.73 93.66 3.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.38 97.34 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.242 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' H' ' 75' ' ' TYR . 49.9 m -146.3 -179.95 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.21 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -160.46 126.27 4.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.36 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.76 -178.33 5.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.703 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 96.1 p -170.51 161.03 7.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 110.789 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.77 140.67 6.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.004 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -142.94 78.88 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.996 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.22 52.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -97.67 112.49 24.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.721 0.296 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.03 125.49 33.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.944 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.37 105.22 8.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.193 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.83 167.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.547 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 56.3 p . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.23 90.32 4.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -117.93 150.55 39.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.529 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.48 -100.11 0.7 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -143.84 164.17 31.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.74 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 43.0 t -136.18 144.3 44.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.51 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.19 -170.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.639 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -62.88 140.31 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.809 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -125.02 129.55 50.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.473 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -148.54 127.83 12.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.548 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 21.9 m -69.43 -59.5 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.084 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 6.6 t -132.61 -163.48 1.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.662 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.63 68.8 1.5 Allowed Glycine 0 CA--C 1.521 0.417 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 33.65 79.82 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.9 0.412 . . . . 0.0 111.598 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.12 -62.84 4.71 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.374 -1.091 . . . . 0.0 110.374 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -141.42 78.77 1.65 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.81 0.338 . . . . 0.0 110.195 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 17.7 t -134.25 128.66 34.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.903 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 68.9 m -118.71 151.5 37.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.517 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.52 128.44 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 47.0 m -139.35 34.89 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.459 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.95 161.89 29.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.63 148.5 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.528 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.92 -155.66 51.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.85 130.42 43.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.751 0.31 . . . . 0.0 110.51 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.53 110.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.692 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.82 122.44 24.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.508 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.7 104.95 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.631 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 94.4 m -120.01 129.81 54.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.419 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.47 -163.32 0.7 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.44 -55.58 12.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.186 -0.206 . . . . 0.0 110.748 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.24 -100.51 1.3 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 22.0 p -111.18 110.87 21.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.47 168.03 15.14 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.279 -0.569 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -126.69 126.15 43.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.509 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.36 173.62 6.57 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.617 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . 0.421 ' O ' ' HA ' ' H' ' 72' ' ' PRO . 86.1 Cg_exo -44.7 169.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.521 2.148 . . . . 0.0 112.897 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -142.98 111.01 6.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.308 -0.86 . . . . 0.0 108.957 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.13 -84.48 0.37 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' I' ' 86' ' ' SER . 0.1 OUTLIER -95.35 -59.72 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.969 0.414 . . . . 0.0 110.602 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.59 103.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.5 120.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.471 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -109.46 99.73 8.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.41 -146.57 15.76 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.89 72.66 0.41 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -51.82 142.05 15.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.96 0.409 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.34 -47.48 0.68 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.14 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.679 0.276 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.75 93.67 3.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.573 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.33 97.21 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.224 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' I' ' 75' ' ' TYR . 50.1 m -146.43 179.55 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.14 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -159.89 126.4 4.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.8 -178.69 5.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 110.692 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -170.21 161.02 8.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 40.2 t -163.77 140.87 7.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.003 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -143.17 80.24 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.21 52.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -97.7 112.5 24.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.684 0.278 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.17 125.47 33.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.13 8.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.247 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.94 167.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.569 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.435 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -67.02 165.61 15.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.658 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.0 m -52.55 97.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.769 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.75 -111.3 0.3 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -56.15 142.21 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.709 0.29 . . . . 0.0 110.62 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.2 p -132.9 21.99 4.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.633 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.63 -163.33 1.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.61 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.7 t -94.8 160.33 14.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -136.53 133.23 36.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.212 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -149.71 127.77 11.96 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.523 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 t -83.17 -38.12 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.2 t -136.98 137.68 39.74 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.693 0.282 . . . . 0.0 110.841 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.35 73.79 0.85 Allowed Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.305 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 28.23 71.51 0.05 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 124.169 0.57 . . . . 0.0 112.44 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.66 93.92 0.06 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.58 92.48 0.08 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.898 0.38 . . . . 0.0 110.071 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -147.47 154.29 40.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.498 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -143.04 146.51 33.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -126.64 137.56 53.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.337 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -144.99 35.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -61.31 148.44 41.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.26 144.88 43.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.52 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.45 -159.77 51.62 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.91 133.63 55.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.448 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 94.2 p -173.01 114.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.668 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.5 122.8 25.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.13 101.09 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.6 m -117.45 128.37 54.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.543 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.01 -162.29 1.07 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.74 -56.43 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.01 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.46 -97.1 1.13 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.4 p -113.34 110.11 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.357 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.37 164.15 17.45 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.612 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.46 121.8 36.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.307 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.8 p -70.16 170.26 10.79 Favored Pre-proline 0 N--CA 1.464 0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.812 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.69 107.18 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.073 1.849 . . . . 0.0 112.185 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -75.2 113.05 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.094 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.92 -92.99 0.22 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.99 -60.12 1.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.174 -0.21 . . . . 0.0 110.819 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.17 108.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.11 101.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.924 0.392 . . . . 0.0 110.885 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 79.3 m -101.15 100.31 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.329 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.01 -143.9 15.68 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.36 76.05 0.16 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -61.36 137.38 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 111.232 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.06 -45.82 0.69 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t 171.42 132.87 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.38 -71.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.351 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.81 81.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.947 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 t -148.08 -176.66 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.5 127.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.109 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -139.65 -176.46 4.56 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.799 0.333 . . . . 0.0 111.056 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.1 t -155.94 160.57 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.833 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.2 t -135.65 130.42 34.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -143.0 95.75 2.82 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.906 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.58 56.42 0.24 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.93 110.85 23.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.729 0.299 . . . . 0.0 110.571 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -141.01 134.65 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.765 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.85 135.53 43.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.163 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.0 p -149.05 162.89 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.515 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.554 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -66.93 165.56 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.619 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.8 m -52.55 97.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.782 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.81 -111.08 0.31 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -56.58 141.98 41.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.846 0.355 . . . . 0.0 110.666 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -132.72 21.85 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.69 -163.39 1.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.584 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 12.3 t -94.79 160.27 14.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -136.56 133.27 36.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.194 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.67 127.79 12.0 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.9 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 4.6 t -83.46 -38.04 22.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.84 138.03 40.35 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.86 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 106.68 76.0 0.98 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.985 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' B' ' 49' ' ' GLY . 65.4 m-85 25.99 72.03 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.08 93.98 0.06 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.65 92.39 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.47 154.23 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -143.04 146.54 33.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -126.67 137.41 53.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.393 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 91.8 p -144.81 35.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 70.1 m -61.23 148.47 40.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.27 144.83 43.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.56 -159.76 51.47 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.89 133.61 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 94.1 p -173.0 113.98 0.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.705 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.32 122.76 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.12 101.11 12.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -117.21 128.48 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.17 -162.12 1.1 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.9 -56.45 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.599 0.238 . . . . 0.0 110.881 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -97.45 1.16 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 25.2 p -112.94 110.01 19.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.652 0.263 . . . . 0.0 110.373 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.85 17.41 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.671 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 41.5 t -123.07 121.67 36.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.27 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 7.0 p -70.16 170.65 9.54 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.83 106.0 0.2 Allowed 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.235 1.956 . . . . 0.0 112.397 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -74.02 113.52 11.29 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.381 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.9 -92.76 0.22 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.95 -60.16 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 110.784 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.34 109.05 0.01 OUTLIER Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.07 101.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.966 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 82.6 m -100.81 100.0 10.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.81 -143.14 14.21 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.08 76.27 0.15 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -61.55 137.62 58.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.08 0.467 . . . . 0.0 111.29 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.04 -45.58 0.7 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.37 132.88 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.4 -71.08 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.343 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.91 81.64 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.965 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.94 -176.53 5.31 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.45 127.6 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.207 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.62 -176.5 4.58 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.235 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.91 160.43 40.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.42 130.35 34.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.513 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -143.17 96.31 2.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.16 56.82 0.24 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.96 110.72 23.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.73 0.3 . . . . 0.0 110.65 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.67 30.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.747 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.87 135.52 43.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.23 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -148.94 163.0 38.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.501 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -66.89 165.63 15.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.66 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 70.0 m -52.52 97.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.67 -111.19 0.3 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -56.52 141.98 40.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.634 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 79.7 p -132.73 21.76 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.649 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.64 -163.41 1.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.583 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 12.3 t -94.79 160.3 14.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.53 133.27 36.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.224 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.67 127.68 11.92 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.937 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -83.52 -37.96 22.38 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -136.82 138.03 40.38 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.857 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 106.58 76.09 0.99 Allowed Glycine 0 CA--C 1.523 0.591 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.997 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' C' ' 49' ' ' GLY . 65.7 m-85 25.9 72.04 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.0 93.88 0.06 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.72 92.32 0.08 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.969 0.414 . . . . 0.0 110.073 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 39.8 t -147.47 154.25 40.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.591 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.07 146.58 33.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.624 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -126.71 137.47 53.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.317 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 91.1 p -144.97 35.28 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -61.37 148.52 41.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.55 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.27 144.9 43.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.43 -159.86 51.71 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.8 133.65 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.455 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 94.4 p -173.04 113.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.735 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.26 122.8 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.467 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.12 101.04 11.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 92.7 m -117.21 128.61 55.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.591 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.24 -162.04 1.11 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.96 -56.49 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.578 0.228 . . . . 0.0 110.858 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.77 -97.51 1.15 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -112.97 110.07 19.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.92 17.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.609 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 41.4 t -123.17 121.64 36.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.231 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 6.9 p -70.22 170.79 9.17 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.755 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.84 105.82 0.19 Allowed 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 122.326 2.017 . . . . 0.0 112.389 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.9 113.49 11.12 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.402 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.99 -92.78 0.22 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.85 -60.17 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.35 109.06 0.01 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.02 102.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.392 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 82.3 m -100.8 100.08 10.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.431 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.79 -143.19 14.32 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.24 76.21 0.15 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.59 137.59 58.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.103 0.478 . . . . 0.0 111.207 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.05 -45.59 0.7 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.33 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.37 -71.16 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.362 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.9 81.66 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -147.96 -176.61 5.34 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.8 t -171.36 127.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.22 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.49 4.57 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.242 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.87 160.41 40.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.808 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.37 130.31 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.538 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -143.15 96.41 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.001 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.06 56.88 0.24 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -97.04 110.7 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.77 0.319 . . . . 0.0 110.502 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.93 134.68 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.801 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.87 135.55 43.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.221 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -148.93 162.96 38.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.028 -0.986 . . . . 0.0 110.559 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -67.01 165.59 15.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -52.55 97.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.827 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.86 -111.07 0.31 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -56.65 141.94 41.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.867 0.365 . . . . 0.0 110.663 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -132.71 21.8 4.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.697 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -132.59 -163.42 1.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.587 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.78 160.37 14.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.033 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 9.3 t -136.73 133.02 35.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.4 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.53 127.72 12.06 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.917 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 4.6 t -83.52 -38.11 22.18 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.968 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.64 138.09 40.78 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.908 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 106.67 76.16 0.99 Allowed Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.009 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' D' ' 49' ' ' GLY . 65.9 m-85 25.94 72.02 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.22 93.99 0.07 OUTLIER Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.68 92.35 0.08 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.987 0.422 . . . . 0.0 110.112 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.43 154.26 40.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.602 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 47.0 t -143.06 146.53 33.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -126.65 137.32 53.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.403 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 91.6 p -144.86 35.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.566 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -61.39 148.39 41.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.18 144.87 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.43 -159.88 51.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.89 133.64 55.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 110.459 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 93.6 p -173.02 114.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.632 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.3 122.95 25.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.3 100.98 11.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -117.33 128.55 55.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.547 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.17 -162.09 1.1 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.99 -56.23 9.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.482 0.182 . . . . 0.0 110.926 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.43 -97.44 1.17 Allowed Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -113.0 109.85 19.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.586 0.231 . . . . 0.0 110.537 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.31 163.92 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.064 -0.655 . . . . 0.0 111.602 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.07 121.66 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.259 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 6.9 p -70.21 170.83 9.04 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.724 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.95 105.91 0.2 Allowed 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.207 1.938 . . . . 0.0 112.45 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.97 113.59 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.309 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.89 -92.8 0.22 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.73 -60.32 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.37 109.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.08 101.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.975 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 84.5 m -100.86 99.95 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.473 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.75 -143.32 14.57 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.23 76.25 0.15 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -61.64 137.84 58.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.1 0.476 . . . . 0.0 111.167 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.91 -45.63 0.7 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.41 132.9 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.714 0.292 . . . . 0.0 110.224 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.34 -71.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.344 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.83 81.72 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.96 -176.56 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -171.44 127.58 0.66 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.246 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.49 4.57 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.2 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.9 160.3 40.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.33 130.34 34.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.469 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -143.32 96.33 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.027 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.19 56.83 0.24 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.94 110.71 23.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.703 0.287 . . . . 0.0 110.586 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.74 30.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.792 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.95 135.53 43.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.186 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -148.98 163.09 38.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.518 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.563 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -66.82 165.58 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 67.5 m -51.93 96.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.483 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.94 -111.47 0.26 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -56.34 141.93 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.624 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 79.9 p -132.66 21.76 4.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.737 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.61 -163.43 1.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.634 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.78 160.26 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -136.57 133.32 36.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.273 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -149.95 128.66 12.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.024 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 4.8 t -84.62 -40.14 17.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.698 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -131.21 137.16 48.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 108.55 71.66 0.73 Allowed Glycine 0 C--O 1.22 -0.746 0 C-N-CA 118.77 -1.681 . . . . 0.0 112.782 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' E' ' 49' ' ' GLY . 68.3 m-85 25.31 76.3 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.268 0.627 . . . . 0.0 111.418 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.82 91.97 0.07 OUTLIER Glycine 0 CA--C 1.519 0.3 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 69.51 92.58 0.08 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.013 0.435 . . . . 0.0 110.008 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 40.1 t -147.58 154.27 40.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.54 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 47.2 t -142.87 146.9 34.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.499 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -126.83 137.52 53.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.469 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 90.6 p -144.92 35.27 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 69.9 m -61.36 148.44 41.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.532 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.18 144.81 43.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.6 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.51 -159.79 51.56 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.9 133.7 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 94.4 p -173.11 114.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.651 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.34 122.73 25.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.527 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.16 100.8 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.09 128.47 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.455 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.8 -162.31 1.0 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -56.97 7.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.591 0.234 . . . . 0.0 110.925 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.06 -97.59 1.14 Allowed Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.463 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -113.13 109.73 19.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.089 0.523 . . . . 0.0 110.236 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.2 164.07 17.85 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.63 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 41.3 t -123.46 122.69 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.165 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 7.6 p -71.37 170.83 10.35 Favored Pre-proline 0 CA--C 1.532 0.267 0 O-C-N 124.741 1.276 . . . . 0.0 109.284 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.69 108.34 0.37 Allowed 'Trans proline' 0 N--CA 1.503 2.048 0 C-N-CA 121.62 1.547 . . . . 0.0 111.821 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -75.38 114.39 13.86 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.071 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.33 -92.66 0.22 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.41 -58.92 1.94 Allowed 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.126 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.63 109.98 0.01 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t 55.91 103.13 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.19 0.519 . . . . 0.0 110.704 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 83.7 m -101.21 100.4 10.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.428 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.12 -142.73 13.61 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.16 75.65 0.17 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.384 -0.687 . . . . 0.0 111.384 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -61.64 137.44 58.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.189 0.519 . . . . 0.0 111.186 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.18 -43.61 0.77 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 169.33 133.24 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.03 0.443 . . . . 0.0 110.053 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.54 -71.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.147 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 53.2 81.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.987 0.805 . . . . 0.0 110.832 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.9 -176.65 5.35 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.41 127.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.188 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -139.68 -176.6 4.62 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 121.434 0.635 . . . . 0.0 111.149 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.14 161.38 41.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.813 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 11.0 t -135.7 130.18 33.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -142.39 94.83 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.88 56.7 0.23 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.17 110.55 22.81 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.812 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -140.91 134.73 30.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.754 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -133.61 135.29 44.12 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.836 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -148.71 163.05 38.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.561 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 71.6 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.573 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -66.91 165.55 15.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -52.47 97.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.81 -111.15 0.31 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -56.41 141.83 40.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.788 0.328 . . . . 0.0 110.657 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 79.6 p -132.72 21.84 4.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.643 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.66 -163.46 1.35 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.58 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.83 160.34 14.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -136.52 133.45 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.207 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.84 127.71 11.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.933 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -83.32 -38.23 22.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.964 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.67 138.16 40.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 106.35 76.36 1.02 Allowed Glycine 0 C--O 1.223 -0.534 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.95 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' F' ' 49' ' ' GLY . 65.7 m-85 25.54 72.18 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.11 93.85 0.06 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.74 92.35 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.932 0.396 . . . . 0.0 110.075 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -147.54 154.25 40.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.08 146.54 33.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -126.7 137.4 53.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.436 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 91.1 p -144.83 35.25 1.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.639 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -61.38 148.46 41.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.487 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -115.24 144.83 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.48 -159.86 51.65 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.86 133.68 55.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.443 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 94.0 p -173.02 114.02 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.31 122.8 25.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.478 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.28 101.04 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.16 128.66 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.419 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.26 -161.95 1.1 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -56.66 8.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 110.853 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.76 -97.49 1.15 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 25.4 p -112.88 110.09 19.96 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.43 163.92 17.31 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.568 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.16 121.61 36.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.279 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 7.1 p -70.07 170.77 9.05 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.752 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.89 105.83 0.19 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.277 1.985 . . . . 0.0 112.444 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.93 113.7 11.39 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.306 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.78 -92.99 0.22 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.55 -60.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.788 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.39 109.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t 57.04 102.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 82.4 m -100.82 100.19 10.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.414 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.83 -143.24 14.4 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.23 76.2 0.15 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.61 137.53 58.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 111.252 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.04 -45.58 0.7 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.37 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -104.33 -71.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.358 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.96 81.67 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.97 -176.51 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 111.07 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -171.51 127.63 0.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.105 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.62 -176.38 4.53 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 111.254 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.99 160.38 40.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 11.2 t -135.45 130.4 34.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.511 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.16 96.51 2.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.01 56.74 0.25 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.86 110.63 23.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.73 0.3 . . . . 0.0 110.62 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.63 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.764 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.88 135.58 43.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.229 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 87.6 p -148.96 163.01 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.551 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.533 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -66.93 165.6 15.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.613 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 69.8 m -52.52 97.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.767 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.79 -111.21 0.31 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -56.59 141.97 41.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.633 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -132.75 21.9 4.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.626 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.74 -163.48 1.35 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.75 160.26 14.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.031 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.42 133.21 36.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.27 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.72 127.73 11.92 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.911 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -83.62 -38.03 22.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.964 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 43.3 t -136.74 138.13 40.64 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.853 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 106.61 76.05 0.99 Allowed Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.978 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' G' ' 49' ' ' GLY . 65.3 m-85 25.87 72.17 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.13 93.92 0.06 OUTLIER Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.7 92.36 0.08 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.914 0.388 . . . . 0.0 110.098 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.51 154.19 40.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.578 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.03 146.54 33.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.643 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -126.67 137.43 53.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -144.88 35.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.595 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.9 m -61.4 148.54 41.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.519 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.32 144.88 43.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.46 -159.79 51.62 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.97 133.72 55.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 94.6 p -173.02 114.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.683 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.3 122.83 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.29 101.07 11.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.63 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.22 128.54 55.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.26 -162.05 1.12 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -56.49 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.6 0.238 . . . . 0.0 110.861 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.68 -97.48 1.16 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -112.95 110.01 19.8 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.91 17.4 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.613 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 41.5 t -123.09 121.66 36.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.199 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 6.9 p -70.21 170.83 9.01 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.724 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.88 105.78 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.258 1.972 . . . . 0.0 112.464 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.83 113.56 11.12 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.424 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.0 -92.88 0.22 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.87 -60.17 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.756 0.312 . . . . 0.0 110.865 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.37 109.09 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.04 102.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 83.7 m -100.85 100.02 10.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.73 -143.19 14.31 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.19 76.16 0.15 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -61.65 137.73 58.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.142 0.496 . . . . 0.0 111.161 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.94 -45.57 0.7 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.38 132.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.696 0.284 . . . . 0.0 110.239 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.29 -71.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.395 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.9 81.61 0.08 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.943 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.93 -176.5 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.201 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -171.44 127.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.16 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.68 -176.44 4.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 111.232 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.92 160.42 40.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.43 130.37 34.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.486 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -143.18 96.51 2.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.02 56.86 0.24 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.98 110.81 23.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.619 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -141.0 134.67 30.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.9 135.52 43.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.223 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 87.6 p -148.95 163.07 38.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.546 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.54 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -66.89 165.59 15.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.642 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -52.54 97.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.748 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.79 -111.06 0.31 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -56.56 141.8 41.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.726 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 79.8 p -132.65 21.85 4.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.663 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.7 -163.5 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.8 0.333 . . . . 0.0 110.525 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.77 160.29 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.49 133.31 36.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.253 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.71 127.7 11.9 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.911 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 4.5 t -83.56 -38.01 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.739 -0.384 . . . . 0.0 112.003 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.82 137.97 40.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 106.73 76.12 0.99 Allowed Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.971 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' H' ' 49' ' ' GLY . 65.6 m-85 25.84 72.13 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.13 93.95 0.06 OUTLIER Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.66 92.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.906 0.384 . . . . 0.0 110.136 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 39.8 t -147.37 154.25 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.559 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 47.4 t -143.01 146.49 33.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.68 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -126.59 137.44 53.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.359 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 89.7 p -144.94 35.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.556 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 70.1 m -61.35 148.46 41.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.23 144.87 43.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.532 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.45 -159.84 51.68 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.86 133.62 55.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.464 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 94.3 p -172.98 114.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.666 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.46 122.82 25.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.438 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.25 101.06 11.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.613 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 92.9 m -117.25 128.55 55.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.18 -161.91 1.07 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.15 -56.39 9.35 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.916 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -97.45 1.16 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -112.99 110.02 19.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.38 163.89 17.43 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.593 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 41.7 t -123.07 121.62 36.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.305 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 6.8 p -70.1 170.86 8.8 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.72 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.93 105.82 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.195 1.93 . . . . 0.0 112.473 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.89 113.65 11.29 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.398 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.94 -92.84 0.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.77 -60.28 1.68 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.47 109.16 0.01 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.04 101.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.989 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 84.0 m -100.73 100.01 10.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.416 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.74 -143.17 14.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.16 76.31 0.15 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.65 137.61 58.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.205 0.526 . . . . 0.0 111.171 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.99 -45.47 0.7 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.33 132.89 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.33 -71.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.382 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.79 81.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -148.0 -176.57 5.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -171.43 127.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.178 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.59 4.61 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.285 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.81 160.4 40.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -135.36 130.33 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.514 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.18 96.49 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.999 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.08 56.78 0.24 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.84 110.62 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.715 0.293 . . . . 0.0 110.653 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.94 134.64 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.803 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.85 135.58 43.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.24 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -148.99 163.05 38.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.549 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.562 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -66.88 165.48 15.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.654 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -52.49 97.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.762 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.73 -110.93 0.3 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -56.88 141.68 44.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.986 0.422 . . . . 0.0 110.676 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 79.7 p -132.62 21.7 4.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.683 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.48 -163.51 1.35 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.606 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.8 160.19 14.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -136.46 133.28 36.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.308 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -149.53 129.26 13.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.79 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 4.6 t -85.4 -38.31 18.84 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.468 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -136.42 138.13 41.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 106.69 76.09 0.99 Allowed Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.015 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' I' ' 49' ' ' GLY . 64.4 m-85 25.73 73.35 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 178.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.29 93.93 0.08 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.74 92.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.898 0.38 . . . . 0.0 110.071 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.26 154.24 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.529 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 47.0 t -142.99 146.52 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -126.59 137.41 53.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.423 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 91.0 p -144.89 35.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.518 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -61.33 148.46 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.56 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.24 144.78 43.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.55 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.54 -159.76 51.5 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.91 133.59 55.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.463 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 94.0 p -172.98 114.12 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -77.41 122.84 25.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.519 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.33 101.08 11.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -117.03 128.78 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.48 -161.81 1.15 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -56.57 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.739 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.75 -97.67 1.17 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -112.79 110.04 19.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.52 163.98 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.314 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 42.0 t -123.12 122.59 38.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.128 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 7.1 p -71.02 170.91 9.68 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.02 105.93 0.2 Allowed 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 122.3 2.0 . . . . 0.0 112.281 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.93 113.78 11.49 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.408 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.05 -92.72 0.21 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.53 -60.33 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 110.955 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.57 109.37 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.0 102.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 87.5 m -100.54 99.76 10.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.559 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.45 -142.98 13.93 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.14 76.37 0.14 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.62 138.15 58.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.229 0.537 . . . . 0.0 111.052 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.79 -45.45 0.71 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 6.0 t 171.34 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.5 m -104.25 -71.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.336 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.87 81.58 0.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -148.13 -176.98 5.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 111.013 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -171.01 127.65 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.248 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.71 -176.86 4.71 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.133 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 48.2 t -155.54 160.41 40.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t -135.21 130.22 34.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.558 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -143.39 97.07 3.01 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.142 0.496 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 119.64 57.23 0.25 Allowed Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.417 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.87 110.57 23.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.76 0.314 . . . . 0.0 110.73 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -140.98 134.73 30.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.786 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.89 135.54 43.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.177 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -149.0 162.99 38.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.564 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -133.83 -86.8 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.635 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -60.44 145.43 48.25 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.789 0.328 . . . . 0.0 110.54 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.18 138.21 10.11 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.56 -178.06 4.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 110.563 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.7 t -60.55 138.71 58.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.542 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.28 127.34 19.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -131.41 144.39 51.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.1 m -135.19 132.99 38.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -139.12 141.97 38.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.29 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.63 -52.34 1.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -133.71 127.31 32.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.837 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.25 77.18 0.96 Allowed Glycine 0 CA--C 1.527 0.814 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.373 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 34.09 69.84 0.14 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.11 95.23 0.34 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 68.56 97.03 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 0.0 110.518 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.9 p -163.85 168.23 19.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.38 157.15 39.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.33 131.52 51.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.2 149.9 45.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.623 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.87 130.94 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.464 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.53 152.72 6.37 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.18 132.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.707 0.289 . . . . 0.0 110.61 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 m -118.59 -22.1 7.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.8 126.98 9.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.635 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.46 107.38 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -116.25 129.86 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.11 -161.85 0.49 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.74 -52.49 23.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.7 -111.92 2.43 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -111.24 104.7 13.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.264 0.554 . . . . 0.0 110.194 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -141.46 140.55 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.711 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.7 m -107.05 125.76 51.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.308 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.56 172.94 7.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.069 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HA ' ' O ' ' B' ' 72' ' ' PRO . 69.4 Cg_exo -47.99 179.3 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.778 2.319 . . . . 0.0 113.909 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -147.11 111.76 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.057 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.76 -80.29 0.35 Allowed Glycine 0 CA--C 1.527 0.83 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -123.18 97.05 5.24 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.163 0.506 . . . . 0.0 110.102 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.88 -87.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.317 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -152.16 171.11 18.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.426 . . . . 0.0 111.3 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.0 p -127.95 147.4 50.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.272 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.87 87.6 0.3 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.35 147.25 4.77 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -91.28 55.25 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.042 0.448 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.29 -71.56 0.6 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -166.65 107.94 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 0.0 110.554 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.44 83.31 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.331 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.29 133.18 34.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.709 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -154.73 -175.54 5.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.021 0.439 . . . . 0.0 111.348 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -145.91 119.39 9.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.61 -178.46 7.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -172.22 159.97 4.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.767 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.0 p -163.38 166.33 23.0 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.793 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.55 76.18 0.19 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.313 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.79 47.72 0.1 OUTLIER Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.75 118.44 34.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.629 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -131.18 123.97 29.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.87 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.352 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.55 55.68 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.439 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.521 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -133.95 -86.79 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.713 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -60.34 145.36 48.05 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.763 0.315 . . . . 0.0 110.544 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.24 138.28 10.14 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.52 -177.86 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.476 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 40.6 t -60.7 138.63 58.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.24 127.34 19.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.3 144.29 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.23 132.79 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -138.73 141.68 38.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.431 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.77 -52.35 1.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.146 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.2 t -133.41 127.76 34.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.775 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.61 79.6 1.16 Allowed Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.0 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.31 70.51 0.09 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.44 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.64 96.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.825 0.345 . . . . 0.0 110.543 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 77.9 p -163.76 168.14 20.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.527 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 92.8 p -153.32 157.18 39.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.598 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.31 131.51 51.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 50.8 m -140.84 23.99 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 70.0 m -71.27 149.99 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.634 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.93 130.98 42.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.443 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.52 152.84 6.44 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.27 132.19 0.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.742 0.306 . . . . 0.0 110.545 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.66 -21.83 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.96 126.86 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.642 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.44 107.35 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -116.15 130.0 56.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.624 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.32 -161.75 0.52 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.92 -52.46 24.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 110.731 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.86 -112.19 2.47 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.03 104.59 13.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.994 0.426 . . . . 0.0 110.213 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.42 140.37 33.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.702 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 69.9 m -106.68 125.64 51.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.375 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.23 173.27 7.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.942 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 78.2 Cg_exo -47.75 -178.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.925 2.417 . . . . 0.0 113.777 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.25 110.75 4.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.053 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.69 -79.99 0.35 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.98 97.04 5.26 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.13 -87.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.479 -0.649 . . . . 0.0 111.479 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -152.05 171.51 17.74 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 66.1 p -128.0 147.77 50.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.223 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.01 87.71 0.3 Allowed Glycine 0 CA--C 1.528 0.844 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.22 147.36 4.8 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -91.14 55.76 2.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.387 . . . . 0.0 110.663 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.57 -71.42 0.58 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.72 107.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.764 0.316 . . . . 0.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.35 83.36 2.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.323 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.31 132.76 34.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.806 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 22.4 m -154.29 -175.5 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.045 0.45 . . . . 0.0 111.343 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -145.85 119.29 9.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.33 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.59 -178.44 7.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 45.9 t -172.17 159.93 5.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.787 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 87.7 p -163.36 166.23 23.17 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.012 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.76 78.07 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.19 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.0 47.77 0.09 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.79 118.31 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.322 . . . . 0.0 110.699 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.23 123.86 29.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.672 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.51 129.88 33.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.354 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.6 55.63 6.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.398 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.637 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -133.98 -86.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.664 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 70.7 m -60.24 145.39 47.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.755 0.312 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.27 138.23 10.12 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.57 -177.81 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.497 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 40.7 t -60.62 138.65 58.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.498 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.26 127.25 19.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -131.29 144.2 51.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 92.6 m -135.1 132.79 38.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -138.77 141.64 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.442 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.73 -52.47 1.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.41 127.88 34.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.737 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.51 79.73 1.17 Allowed Glycine 0 CA--C 1.524 0.631 0 C-N-CA 120.411 -0.899 . . . . 0.0 111.998 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.42 70.48 0.09 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.55 95.29 0.37 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.62 96.86 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.901 0.381 . . . . 0.0 110.53 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 78.2 p -163.75 168.27 19.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.507 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.44 157.09 39.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.543 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -126.28 131.56 51.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.84 24.05 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -71.26 149.89 45.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.679 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.75 131.0 42.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.462 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.5 152.78 6.38 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.23 132.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.773 0.321 . . . . 0.0 110.51 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.74 -21.88 7.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.99 126.9 8.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.588 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.48 107.34 8.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.12 130.04 56.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.568 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.29 -161.78 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.96 -52.38 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.658 0.265 . . . . 0.0 110.768 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.84 -112.12 2.46 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.12 104.62 13.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.04 0.448 . . . . 0.0 110.173 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.4 140.53 33.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.662 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 70.5 m -106.91 125.63 51.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.319 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.12 173.31 7.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.92 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' D' ' 72' ' ' PRO . 77.9 Cg_exo -47.72 -178.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.996 2.464 . . . . 0.0 113.73 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.35 110.78 4.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.079 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.74 -79.98 0.35 Allowed Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.03 97.15 5.3 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.1 -87.0 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.07 171.5 17.78 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.256 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 65.3 p -128.03 147.87 50.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.205 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.14 87.81 0.3 Allowed Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.18 147.38 4.81 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -91.22 55.96 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.98 0.419 . . . . 0.0 110.678 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.67 -71.37 0.58 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -166.77 107.93 0.66 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.789 0.328 . . . . 0.0 110.571 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.4 83.36 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.279 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.3 132.69 34.02 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.849 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 22.6 m -154.19 -175.37 5.36 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.35 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.85 119.27 9.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.348 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.52 -178.43 7.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.902 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -172.21 159.84 4.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 87.8 p -163.23 166.34 23.34 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.085 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.8 78.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.16 47.83 0.09 OUTLIER Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.74 118.22 33.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 110.73 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.2 123.95 29.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.667 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.88 33.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.274 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t 56.65 55.63 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.384 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.535 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -133.94 -86.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.669 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -60.24 145.39 47.48 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.821 0.343 . . . . 0.0 110.613 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.31 138.22 10.11 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.44 -177.84 4.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 110.557 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -60.63 138.62 58.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.524 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.25 127.32 19.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.55 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -131.34 144.23 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -135.17 132.73 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.782 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.71 141.63 38.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.412 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.75 -52.54 1.9 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.032 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 45.9 t -133.29 128.07 34.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.761 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.41 79.64 1.17 Allowed Glycine 0 C--O 1.222 -0.604 0 C-N-CA 120.366 -0.921 . . . . 0.0 111.995 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 31.41 70.56 0.09 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.54 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.68 96.86 0.06 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.848 0.356 . . . . 0.0 110.574 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -163.82 168.21 19.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 93.2 p -153.42 157.08 39.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -126.23 131.58 51.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.454 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 50.9 m -140.9 24.1 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.612 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -71.32 149.95 45.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.628 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.86 131.05 42.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.52 152.76 6.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -174.2 132.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.735 0.302 . . . . 0.0 110.564 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.71 -21.78 7.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.01 126.77 8.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.337 . . . . 0.0 110.573 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.41 107.42 8.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -116.44 129.89 56.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.1 -161.79 0.48 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -52.16 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.722 0.296 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.5 -112.02 2.47 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.16 104.32 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.956 0.408 . . . . 0.0 110.391 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.32 140.49 33.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 69.6 m -106.74 125.64 51.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.4 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.27 173.35 7.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.875 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 78.5 Cg_exo -47.69 -178.66 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.916 2.41 . . . . 0.0 113.741 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.4 110.73 4.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.032 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.67 -79.96 0.35 Allowed Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.09 97.07 5.26 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.99 -87.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 43.4 t -151.96 171.54 17.65 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.257 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 66.5 p -127.91 147.78 50.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.476 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.09 87.7 0.3 Allowed Glycine 0 CA--C 1.528 0.869 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.439 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.18 147.4 4.82 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -91.21 56.07 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.673 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.77 -71.39 0.58 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.78 107.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.619 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.4 83.36 2.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.299 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.34 132.65 33.91 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.853 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 22.6 m -154.15 -175.41 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 111.373 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -145.87 119.31 9.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.263 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.51 -178.47 7.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -172.23 159.84 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 87.5 p -163.28 166.23 23.35 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.98 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.84 78.44 0.21 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.28 47.86 0.09 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.76 118.26 33.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.752 0.31 . . . . 0.0 110.755 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.18 123.95 29.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.681 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.91 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.298 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.54 55.65 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.432 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.626 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -133.59 -89.3 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.27 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -59.02 145.19 42.83 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.782 0.325 . . . . 0.0 110.686 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.15 137.93 9.92 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.3 -177.84 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.737 0.303 . . . . 0.0 110.585 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -60.58 138.69 58.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.507 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.31 127.36 19.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.589 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -131.36 144.22 51.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -135.16 132.87 38.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -138.41 141.82 39.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.21 -50.08 1.92 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.589 -0.844 . . . . 0.0 112.129 177.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 47.6 t -131.06 126.04 34.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.856 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.76 72.2 0.63 Allowed Glycine 0 C--O 1.217 -0.939 0 C-N-CA 117.78 -2.152 . . . . 0.0 113.576 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' E' ' 49' ' ' GLY . 12.7 m-85 31.29 75.45 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.37 0.605 . . . . 0.0 110.945 -177.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.08 92.9 0.4 Allowed Glycine 0 CA--C 1.518 0.247 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 69.7 96.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.906 0.384 . . . . 0.0 110.496 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -163.87 168.33 19.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.451 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 91.7 p -153.21 157.31 40.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.401 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -126.22 131.71 51.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.752 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.8 24.03 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -71.26 149.93 45.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.681 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.84 130.89 42.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.486 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 152.72 6.51 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.19 132.27 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.68 -21.79 7.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.06 126.67 8.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.557 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -132.21 106.97 8.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.0 129.95 56.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.91 -162.24 0.48 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.6 -52.84 20.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.693 0.282 . . . . 0.0 110.79 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.13 -112.04 2.41 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.15 104.14 12.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.901 0.381 . . . . 0.0 110.147 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -141.06 141.22 34.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 71.6 m -107.51 126.98 53.2 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.126 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.22 173.26 7.31 Favored Pre-proline 0 C--N 1.328 -0.365 0 O-C-N 124.551 1.157 . . . . 0.0 109.495 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . 0.433 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 77.6 Cg_exo -47.79 -179.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.505 2.193 0 C-N-CA 122.999 2.466 . . . . 0.0 113.538 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -148.73 114.12 5.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.608 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 121.22 -81.33 0.34 Allowed Glycine 0 CA--C 1.543 1.814 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -121.83 95.48 4.68 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 122.755 -0.262 . . . . 0.0 110.31 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -44.97 -86.66 0.01 OUTLIER Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -152.42 171.52 17.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.013 0.435 . . . . 0.0 111.183 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 66.0 p -127.74 147.29 50.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.173 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -128.76 86.17 0.32 Allowed Glycine 0 CA--C 1.542 1.754 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.825 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.48 146.45 4.53 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -90.18 56.95 3.57 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.718 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -113.72 -70.52 0.53 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 48.1 t -167.21 107.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.591 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 6.3 p -121.22 82.53 1.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.215 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -136.99 132.11 33.86 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.803 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 21.4 m -154.08 -176.42 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 111.35 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.24 119.29 9.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.277 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.69 -179.25 8.01 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -170.27 160.39 7.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.781 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 89.9 p -162.75 167.04 23.56 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.205 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.68 77.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.318 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 47.97 0.09 OUTLIER Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -96.34 118.08 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.28 -0.168 . . . . 0.0 110.992 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.33 124.01 29.51 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.609 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.33 129.75 33.95 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.513 0.508 . . . . 0.0 110.017 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.69 55.66 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.502 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.573 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -133.95 -86.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 70.8 m -60.18 145.38 47.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.722 0.296 . . . . 0.0 110.627 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.36 138.2 10.09 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.47 -177.86 4.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 110.614 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -60.65 138.65 58.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.531 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.28 127.3 19.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m -131.4 144.26 51.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 92.2 m -135.13 132.68 38.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.59 141.63 39.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.85 -52.36 1.89 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.035 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.49 127.67 33.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.753 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 108.66 80.02 1.19 Allowed Glycine 0 C--O 1.222 -0.618 0 C-N-CA 120.384 -0.913 . . . . 0.0 111.902 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' F' ' 49' ' ' GLY . 11.6 m-85 30.85 70.73 0.08 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.57 95.25 0.37 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.65 96.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.833 0.349 . . . . 0.0 110.597 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 77.8 p -163.71 168.19 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.467 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 93.5 p -153.39 157.09 39.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.536 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -126.21 131.52 51.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.464 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.25 149.99 45.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.632 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.89 130.9 42.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.6 152.74 6.44 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -174.17 132.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.731 0.301 . . . . 0.0 110.539 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.73 -21.75 7.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.1 126.87 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.52 107.29 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.04 130.3 56.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.42 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.49 -161.65 0.54 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -52.65 23.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.655 0.264 . . . . 0.0 110.765 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.97 -112.14 2.45 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.04 104.58 13.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.983 0.42 . . . . 0.0 110.19 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -141.39 140.46 33.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.748 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -106.74 125.67 51.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.329 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.29 173.31 7.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.896 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 78.0 Cg_exo -47.64 -178.6 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.992 2.462 . . . . 0.0 113.75 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.46 110.64 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.023 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.69 -80.07 0.35 Allowed Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.63 96.99 5.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.1 -87.06 0.01 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -152.0 171.48 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.208 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 65.2 p -127.97 147.86 50.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.21 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.12 87.75 0.3 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.359 -0.697 . . . . 0.0 111.359 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.12 147.41 4.82 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -91.17 55.98 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.401 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.71 -71.37 0.58 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.75 107.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 110.599 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.32 83.38 2.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.336 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.36 132.61 33.81 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.799 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 22.8 m -154.13 -175.37 5.36 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.378 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.4 t -145.87 119.32 9.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.275 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.55 -178.44 7.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.924 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 46.2 t -172.24 159.86 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.31 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 87.7 p -163.37 166.37 22.99 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.129 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.73 78.15 0.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.188 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.08 47.76 0.09 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.75 118.3 34.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.25 123.91 29.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.659 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.51 129.93 33.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.334 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.5 55.61 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.599 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -133.98 -86.85 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -60.34 145.44 47.74 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.709 0.29 . . . . 0.0 110.581 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.33 138.21 10.09 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.46 -177.77 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.553 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -60.65 138.6 58.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.564 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.24 127.36 19.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -131.34 144.22 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.15 132.68 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -138.6 141.67 39.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.485 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.77 -52.37 1.9 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.109 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 45.9 t -133.47 127.99 34.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.73 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.41 79.73 1.18 Allowed Glycine 0 C--O 1.222 -0.601 0 C-N-CA 120.403 -0.903 . . . . 0.0 111.944 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.39 70.52 0.09 Allowed 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.52 95.29 0.37 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.67 96.84 0.06 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.801 0.334 . . . . 0.0 110.551 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -163.76 168.24 19.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.489 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -153.43 157.12 39.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.515 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -126.16 131.57 52.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.517 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.92 23.96 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.23 149.95 45.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.608 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.84 130.9 42.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.59 152.7 6.41 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.14 132.28 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.534 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 9.0 m -118.69 -21.88 7.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.96 126.82 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.613 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.36 107.34 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.661 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.14 129.97 56.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.22 -161.7 0.49 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.94 -52.4 24.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.3 . . . . 0.0 110.799 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.74 -112.15 2.47 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.06 104.57 13.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.953 0.406 . . . . 0.0 110.208 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.4 140.47 33.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.69 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 69.8 m -106.7 125.64 51.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.392 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.2 173.32 7.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.875 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . 0.428 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 78.1 Cg_exo -47.75 -178.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.874 2.382 . . . . 0.0 113.766 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.48 110.65 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.023 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.82 -79.9 0.35 Allowed Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.16 97.02 5.23 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.04 -86.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.12 171.55 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.197 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 65.0 p -128.03 147.96 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.226 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.19 87.79 0.3 Allowed Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.14 147.38 4.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -91.19 56.01 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.939 0.4 . . . . 0.0 110.677 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.7 -71.4 0.58 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -166.76 107.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.39 83.31 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.359 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.26 132.55 33.93 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.857 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 22.7 m -154.06 -175.39 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 0.0 111.415 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.9 119.27 8.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.319 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.47 -178.49 7.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.923 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 46.0 t -172.13 159.91 5.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.744 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 87.8 p -163.34 166.32 23.12 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.129 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.82 78.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.16 47.78 0.09 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.68 118.28 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 110.712 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.28 123.89 29.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.694 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.52 129.82 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.63 55.63 6.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.439 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.494 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -134.0 -86.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.641 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -60.22 145.43 47.27 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.775 0.321 . . . . 0.0 110.621 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.39 138.24 10.11 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.48 -177.78 4.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.543 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 40.7 t -60.68 138.69 58.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.516 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.29 127.31 19.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.569 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.32 144.2 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.12 132.79 38.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.79 141.56 38.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.441 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.81 -52.28 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.086 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.45 127.89 34.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.741 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.48 79.68 1.17 Allowed Glycine 0 C--O 1.222 -0.627 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.003 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 31.35 70.52 0.09 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.51 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.65 96.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.79 0.329 . . . . 0.0 110.613 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -163.8 168.12 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.463 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.36 157.08 39.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.596 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.19 131.56 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.442 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.86 24.07 2.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -71.27 149.92 45.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.671 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.91 130.95 42.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.62 152.68 6.42 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.11 132.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 0.0 110.532 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.7 -21.8 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.05 126.84 8.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 110.562 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.43 107.36 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.636 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.15 130.12 56.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.35 -161.73 0.52 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.89 -52.42 24.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.681 0.277 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.78 -112.11 2.46 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.06 104.46 13.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.977 0.418 . . . . 0.0 110.223 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.23 140.53 33.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.678 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -106.83 125.62 51.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.291 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.2 173.24 7.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.885 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . 0.426 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 78.3 Cg_exo -47.68 -178.54 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.918 2.412 . . . . 0.0 113.783 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.46 110.77 4.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.032 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.75 -79.96 0.35 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.94 97.02 5.25 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.14 -86.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.19 171.49 17.85 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.214 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 65.6 p -127.94 147.91 50.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.221 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.14 87.84 0.3 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.08 147.36 4.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -91.14 56.06 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.647 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.78 -71.38 0.58 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.75 107.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.41 83.37 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.285 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.29 132.58 33.91 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.854 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 22.7 m -154.16 -175.54 5.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 111.39 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 45.3 t -145.73 119.29 9.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.322 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.55 -178.48 7.37 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.894 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 46.0 t -172.14 159.89 5.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 0.0 110.789 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 88.1 p -163.31 166.27 23.23 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.104 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.79 78.64 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.43 47.82 0.09 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.76 118.27 33.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 110.737 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.22 123.92 29.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.672 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.54 129.82 33.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.6 55.64 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.418 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.615 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -133.94 -86.89 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.647 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 70.3 m -60.18 145.27 47.68 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.697 0.285 . . . . 0.0 110.657 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.29 138.26 10.13 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.45 -177.6 4.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.546 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 40.7 t -60.8 138.55 58.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.462 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.25 127.3 19.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.634 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.29 144.06 51.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.616 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -135.07 132.59 38.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.999 0.428 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -138.8 140.66 38.64 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.581 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.06 -52.62 1.97 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.161 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 45.2 t -133.21 128.31 35.64 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.733 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 108.34 79.59 1.17 Allowed Glycine 0 C--O 1.223 -0.589 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.954 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' I' ' 49' ' ' GLY . 11.4 m-85 31.08 72.11 0.07 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.7 95.31 0.46 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 68.6 96.49 0.06 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 110.577 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -163.4 168.3 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.482 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 92.9 p -153.43 157.1 39.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.494 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -126.21 131.5 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.514 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.601 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.2 149.92 45.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.645 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.97 130.8 42.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.431 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 152.6 6.42 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.01 132.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.526 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.62 -21.98 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.89 126.83 8.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.48 107.35 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.634 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -116.01 130.22 56.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.46 -161.64 0.53 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.02 -52.46 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.564 0.221 . . . . 0.0 110.692 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.87 -112.26 2.48 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 21.1 p -110.85 104.28 12.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.75 0.31 . . . . 0.0 110.194 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.27 140.57 33.91 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.549 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 69.4 m -106.63 126.15 51.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.282 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.54 173.23 7.52 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.69 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . 0.408 ' O ' ' HA ' ' H' ' 72' ' ' PRO . 76.3 Cg_exo -47.99 -178.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.998 2.465 . . . . 0.0 113.498 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -149.49 111.19 4.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.096 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.83 -79.75 0.35 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.84 96.93 5.21 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.8 -86.48 0.01 OUTLIER Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 44.4 t -152.36 171.57 17.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.136 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 62.9 p -127.71 148.41 50.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.21 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.41 88.03 0.3 Allowed Glycine 0 CA--C 1.527 0.803 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.417 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.88 147.59 4.86 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -91.22 56.66 3.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.923 0.392 . . . . 0.0 110.569 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -113.01 -71.35 0.57 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 48.2 t -166.82 108.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.729 0.299 . . . . 0.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.54 83.32 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.295 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -137.19 132.47 33.96 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.652 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 24.1 m -154.15 -176.2 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.971 0.415 . . . . 0.0 111.271 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.11 119.27 9.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.371 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.72 -179.13 7.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.867 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 45.8 t -171.44 160.03 5.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 90.1 p -163.3 166.19 23.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.17 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -166.85 80.11 0.22 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 47.81 0.08 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.85 118.22 33.91 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.707 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -131.32 123.95 29.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.57 129.96 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.314 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.59 55.52 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.457 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.557 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -129.16 141.45 51.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.29 96.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.768 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.67 147.94 18.89 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.11 -178.16 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.769 0.319 . . . . 0.0 110.607 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.3 p -67.31 158.92 30.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.782 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -160.74 128.28 4.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.523 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.71 118.16 14.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.596 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -120.08 132.33 55.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -149.93 126.29 10.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.5 m -53.93 -54.21 41.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.341 0.591 . . . . 0.0 110.038 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.9 p -132.31 -100.41 0.28 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.244 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.28 50.46 28.88 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.625 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.52 -166.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.515 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.47 -53.07 1.26 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.79 -82.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.402 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.64 127.3 40.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.906 0.384 . . . . 0.0 110.771 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.9 t -100.86 123.73 45.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.195 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -97.53 143.92 27.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 111.045 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.39 26.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.322 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.5 m -86.49 -178.84 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.959 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.53 44.17 21.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.91 -176.35 41.95 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -100.28 26.0 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.366 . . . . 0.0 110.368 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.3 137.04 42.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -94.01 103.9 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -93.89 101.39 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.367 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.5 m -112.67 132.28 55.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.84 -160.25 0.09 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -47.28 -53.37 13.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.102 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.47 -108.93 2.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.0 p -109.66 102.74 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.079 0.466 . . . . 0.0 110.312 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -159.09 177.63 10.89 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.68 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.5 t -131.42 122.2 25.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.229 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.59 173.21 7.75 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.077 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -45.42 171.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.651 2.234 . . . . 0.0 113.577 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.27 112.01 5.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.596 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.1 95.36 0.43 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -178.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 66.42 69.13 0.43 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.484 0.659 . . . . 0.0 110.147 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.32 101.84 2.77 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.09 100.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.033 0.444 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.76 149.65 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.39 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.83 92.92 0.19 Allowed Glycine 0 CA--C 1.528 0.884 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.68 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.44 130.28 2.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -92.2 54.6 2.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 110.779 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.38 68.52 0.53 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.975 0.417 . . . . 0.0 110.871 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.74 88.79 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.145 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.73 122.27 32.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.583 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.4 m -149.79 -179.0 6.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.962 0.411 . . . . 0.0 111.089 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -149.26 143.3 25.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.88 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.27 -175.34 1.39 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.338 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -161.52 170.89 19.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.739 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.3 112.53 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.426 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -121.46 98.11 5.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.934 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.97 53.01 0.1 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.91 104.96 17.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.54 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.28 143.57 37.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.728 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.5 m -133.25 119.76 20.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.447 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.61 -163.18 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.619 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.588 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -129.16 141.43 51.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.35 96.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.723 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.65 148.07 18.89 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.19 -177.74 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 110.616 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 83.3 p -67.65 158.89 31.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.726 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -160.61 128.16 4.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.492 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.53 118.21 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.758 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -120.13 132.63 55.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.2 126.18 10.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.245 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.08 -54.38 40.21 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.0 p -132.09 -100.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.21 52.47 22.71 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.373 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.45 -166.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.738 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.83 -53.06 1.22 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.84 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.611 0.243 . . . . 0.0 110.362 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 78.7 p -129.57 127.35 40.52 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.794 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -100.83 123.61 45.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.212 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.37 143.83 27.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.125 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.45 26.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.363 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 60.1 m -86.54 -178.95 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.917 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.55 44.12 21.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.99 -176.3 42.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.3 25.98 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.335 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.29 136.89 42.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.726 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.86 103.88 15.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.587 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -94.0 101.32 13.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.395 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -112.37 132.5 54.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.11 -160.1 0.1 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -47.49 -53.26 14.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.599 0.238 . . . . 0.0 111.014 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.45 -109.11 2.92 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.514 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 27.0 p -109.32 102.49 11.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.683 0.278 . . . . 0.0 110.386 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.92 177.96 10.59 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.709 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.58 122.08 25.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.14 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 173.45 7.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.955 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 81.1 Cg_exo -45.32 173.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.793 2.328 . . . . 0.0 113.391 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -148.86 111.49 4.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.817 -1.083 . . . . 0.0 108.586 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.62 95.37 0.47 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.68 68.83 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.141 0.496 . . . . 0.0 109.955 -178.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.33 101.07 2.69 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.14 99.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 110.718 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.76 150.28 47.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.599 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.22 92.99 0.18 Allowed Glycine 0 CA--C 1.527 0.802 0 C-N-CA 120.976 -0.631 . . . . 0.0 111.586 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.33 130.32 2.89 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -92.14 55.09 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.721 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.83 68.76 0.53 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.901 0.381 . . . . 0.0 110.861 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.75 88.9 2.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.124 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.76 122.22 32.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.54 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.65 -179.01 6.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.009 0.433 . . . . 0.0 111.108 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.23 143.19 25.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.847 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.26 -175.25 1.37 Allowed 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.582 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -161.48 170.81 19.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.718 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.17 112.57 4.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.527 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -121.74 98.93 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.34 53.33 0.11 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.99 104.88 16.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.562 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.29 143.61 37.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.749 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.34 119.76 20.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.494 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.72 -163.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.582 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 56.4 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.547 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -129.17 141.46 51.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.29 96.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.722 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.67 148.11 18.88 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.16 -177.69 4.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.763 0.316 . . . . 0.0 110.596 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 83.1 p -67.6 158.83 31.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.791 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -160.59 128.26 4.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.477 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.52 118.2 14.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.745 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -120.1 132.57 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.23 126.21 10.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.213 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -54.21 -54.26 42.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 7.2 p -132.11 -100.4 0.28 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.08 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.33 52.48 23.2 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.333 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.28 -166.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.786 0.327 . . . . 0.0 110.796 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.93 -52.94 1.22 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.94 -82.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.642 0.258 . . . . 0.0 110.373 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 78.5 p -129.48 127.25 40.48 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.783 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 36.3 t -100.73 123.61 45.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.268 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.49 143.9 27.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 111.046 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.49 26.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.293 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -86.5 -178.89 6.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.44 44.18 21.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.05 -176.28 42.06 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -100.28 26.0 7.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.398 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 69.4 m -54.38 136.89 43.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.85 103.99 16.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.532 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -94.06 101.24 13.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.453 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -112.25 132.56 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.27 -160.0 0.1 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -47.57 -53.2 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.564 0.221 . . . . 0.0 110.994 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.42 -109.17 2.94 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.34 102.44 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.732 0.301 . . . . 0.0 110.366 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.87 178.03 10.52 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.682 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.6 122.05 25.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.166 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.18 173.52 7.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.965 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' D' ' 72' ' ' PRO . 80.6 Cg_exo -45.26 173.35 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.752 2.301 . . . . 0.0 113.381 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.02 111.4 4.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.495 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.8 95.3 0.48 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.62 68.91 0.42 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.214 0.53 . . . . 0.0 109.993 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.31 101.03 2.68 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.19 99.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.059 0.457 . . . . 0.0 110.767 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.69 150.24 47.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.575 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.26 93.02 0.18 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.506 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.31 130.3 2.89 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -92.09 55.17 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.703 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.87 68.66 0.53 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.49 107.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.75 88.88 2.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.095 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.67 122.11 32.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.62 -178.96 6.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.24 143.22 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.917 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.25 -175.32 1.39 Allowed 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.628 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.44 170.8 19.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.71 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.12 112.65 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.464 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -121.85 99.06 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.43 53.34 0.11 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.95 104.93 16.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.708 0.29 . . . . 0.0 110.629 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.36 143.58 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.74 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 24.3 m -133.3 119.58 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.81 -163.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.615 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -129.2 141.43 51.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.29 96.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.749 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.72 147.99 18.89 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.16 -177.7 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.453 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 83.0 p -67.55 158.74 31.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -160.62 128.21 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 44.6 t -136.48 118.31 15.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.789 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 91.9 m -120.26 132.52 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.15 126.25 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.208 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 17.5 m -54.24 -54.15 43.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.982 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 6.7 p -132.31 -100.15 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.15 52.67 21.83 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.402 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.33 -166.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 110.625 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 -53.03 1.21 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.86 -82.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.599 0.237 . . . . 0.0 110.372 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 78.7 p -129.52 127.27 40.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.379 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.84 123.66 45.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.231 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -97.49 143.82 27.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.994 0.426 . . . . 0.0 111.086 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.35 26.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.272 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.9 m -86.53 -178.92 6.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.937 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.46 44.24 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.04 -176.23 42.06 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -100.4 25.99 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.301 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.31 136.85 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.84 103.92 16.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.52 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.01 101.26 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.447 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -112.4 132.46 55.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.962 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.0 -160.12 0.09 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -47.51 -53.01 15.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.569 0.224 . . . . 0.0 111.093 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.15 -109.01 2.93 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.41 102.23 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.712 0.291 . . . . 0.0 110.549 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.74 178.05 10.52 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.748 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 42.5 t -131.6 122.07 25.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.148 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.24 173.53 7.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.903 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 80.3 Cg_exo -45.26 173.36 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.699 2.266 . . . . 0.0 113.455 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.03 111.39 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.483 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.74 95.28 0.48 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.57 69.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.195 0.522 . . . . 0.0 109.955 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.37 101.1 2.69 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.09 99.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.117 0.484 . . . . 0.0 110.854 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.64 150.22 47.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.725 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.25 93.02 0.18 Allowed Glycine 0 CA--C 1.527 0.799 0 C-N-CA 121.012 -0.614 . . . . 0.0 111.606 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.23 130.28 2.9 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -92.06 55.19 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.8 68.65 0.53 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.968 0.414 . . . . 0.0 110.855 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.72 88.92 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.124 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.7 122.16 32.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.644 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 72.3 m -149.69 -178.98 6.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.961 0.41 . . . . 0.0 111.094 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -149.2 143.19 25.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.913 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.28 -175.26 1.37 Allowed 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.651 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.5 170.74 19.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.729 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.1 112.55 4.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.474 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -121.93 99.0 6.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.38 53.45 0.11 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.97 104.75 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.749 0.309 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.28 143.55 37.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.742 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.21 119.67 20.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.77 -163.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.577 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -129.29 141.31 51.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.628 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.39 96.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.079 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.83 148.14 18.88 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.05 -177.69 4.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.704 0.288 . . . . 0.0 110.631 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 83.3 p -67.68 158.87 31.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.764 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -160.61 128.22 4.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.449 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -136.57 118.28 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.722 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -120.19 132.41 55.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -149.91 127.14 11.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.31 0.576 . . . . 0.0 110.207 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 16.6 m -56.08 -53.77 52.98 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.122 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 7.4 p -130.56 -100.16 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.696 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 51.22 48.92 45.9 Favored Glycine 0 C--N 1.341 0.832 0 C-N-CA 119.739 -1.22 . . . . 0.0 111.806 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.49 -166.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.16 0.505 . . . . 0.0 110.3 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.64 -52.76 1.18 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -162.63 -84.42 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -128.51 127.52 42.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.895 0.378 . . . . 0.0 110.482 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 33.7 t -101.74 123.69 46.13 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.091 0.472 . . . . 0.0 109.867 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.5 143.91 27.73 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.49 26.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.276 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 60.1 m -86.56 -179.02 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.939 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.65 44.13 21.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.04 -176.26 42.05 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.33 25.92 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.365 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 69.5 m -54.16 136.87 41.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.731 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.86 103.89 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.07 101.33 13.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.413 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -112.36 132.43 55.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.721 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.3 -161.89 0.11 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -46.39 -53.87 10.17 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 120.659 0.266 . . . . 0.0 110.778 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.7 -109.06 2.88 Favored Glycine 0 N--CA 1.466 0.651 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 27.3 p -109.71 102.4 11.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.985 0.462 . . . . 0.0 110.083 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.91 178.13 10.41 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.734 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 41.8 t -131.98 122.93 26.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 118.822 -0.608 . . . . 0.0 110.148 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.19 173.54 7.14 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 125.23 1.582 . . . . 0.0 109.325 -178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . 0.422 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 83.0 Cg_exo -45.57 173.59 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.681 2.254 . . . . 0.0 113.27 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.74 114.15 5.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.627 -1.17 . . . . 0.0 107.913 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.19 95.16 0.37 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 67.51 67.57 0.38 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.499 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.36 104.51 3.05 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 119.729 -1.224 . . . . 0.0 110.101 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.99 101.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.467 0.651 . . . . 0.0 110.589 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.39 149.89 49.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.427 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.46 91.2 0.18 Allowed Glycine 0 CA--C 1.536 1.401 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.754 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.83 129.44 2.78 Favored Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -90.42 55.44 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.976 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.54 68.83 0.52 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.9 108.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.96 0.41 . . . . 0.0 110.662 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.9 87.94 2.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.067 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.37 121.25 30.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.519 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 72.6 m -149.28 -179.1 6.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.059 0.457 . . . . 0.0 111.084 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.13 143.18 25.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.886 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.32 -175.19 1.35 Allowed 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.536 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.02 171.32 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.731 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.32 112.54 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.782 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -121.14 98.21 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.9 52.72 0.1 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -96.12 104.77 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.649 0.262 . . . . 0.0 110.742 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.31 143.51 37.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.741 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 23.9 m -133.04 119.47 20.09 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.264 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.84 -163.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 56.2 t80 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.555 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -129.08 141.49 51.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.609 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.26 96.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.727 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.77 148.14 18.88 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.15 -177.62 4.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.798 0.333 . . . . 0.0 110.658 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 83.3 p -67.75 158.82 31.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.703 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -160.56 128.18 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.478 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.5 118.11 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.709 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 92.3 m -120.02 132.72 55.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.763 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -150.33 126.23 10.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.292 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.19 -54.52 38.74 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.896 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 6.8 p -131.96 -100.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.28 52.54 22.82 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.332 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.26 -166.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.94 -52.98 1.22 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.97 -82.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.6 127.38 40.52 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.818 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.94 123.65 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.189 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.36 143.92 27.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.46 26.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.333 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.8 m -86.5 -178.94 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.52 44.17 21.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.03 -176.26 42.04 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.33 26.02 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.403 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 69.7 m -54.35 136.98 42.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.94 104.02 16.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.16 101.24 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.417 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -112.17 132.67 54.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.28 -159.88 0.1 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -47.48 -53.51 14.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.62 0.248 . . . . 0.0 110.969 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.61 -109.28 2.93 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.23 102.67 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.704 0.287 . . . . 0.0 110.354 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.97 178.12 10.41 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.039 -0.665 . . . . 0.0 111.74 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -131.69 122.0 25.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.128 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.23 173.57 7.3 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.965 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . 0.421 ' O ' ' HA ' ' E' ' 72' ' ' PRO . 81.4 Cg_exo -45.32 173.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.754 2.303 . . . . 0.0 113.377 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.07 111.3 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.779 -1.101 . . . . 0.0 108.49 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.83 95.38 0.48 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.81 68.59 0.41 Allowed 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 121.168 0.509 . . . . 0.0 109.972 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.14 101.09 2.68 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.08 99.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 110.774 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.59 150.28 47.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.625 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.23 93.06 0.18 Allowed Glycine 0 CA--C 1.527 0.842 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.603 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.31 130.3 2.89 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -92.12 55.23 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.956 0.408 . . . . 0.0 110.667 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.91 68.64 0.53 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.45 107.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.928 0.394 . . . . 0.0 110.913 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.77 88.84 2.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.173 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.73 122.14 32.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.65 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 71.8 m -149.53 -178.9 6.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.954 0.406 . . . . 0.0 111.081 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -149.27 143.21 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.861 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.23 -175.14 1.36 Allowed 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 120.311 -0.555 . . . . 0.0 111.624 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.64 170.83 19.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.16 112.5 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.526 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.66 99.04 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.31 53.48 0.11 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.03 104.82 16.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.735 0.303 . . . . 0.0 110.613 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.27 143.58 38.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.722 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 23.9 m -133.24 119.66 20.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.597 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.68 -163.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.605 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.592 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -129.15 141.46 51.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.35 96.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.678 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.69 148.01 18.89 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.08 -177.64 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.753 0.311 . . . . 0.0 110.651 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 83.2 p -67.6 158.77 31.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -160.59 128.28 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 44.6 t -136.57 118.2 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.727 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -120.14 132.59 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.788 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -150.16 126.15 10.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.269 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -54.16 -54.34 41.0 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.955 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 6.9 p -132.08 -100.21 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.11 52.61 21.86 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.393 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.31 -166.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 -53.08 1.2 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.88 -82.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.612 0.244 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.51 127.4 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -100.91 123.59 45.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.228 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -97.48 143.89 27.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.991 0.424 . . . . 0.0 111.047 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.39 26.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.341 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 60.2 m -86.45 -178.97 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.953 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.6 44.05 21.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.871 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.06 -176.33 42.05 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.3 26.02 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.376 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -54.33 137.03 42.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.722 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.96 103.86 15.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.572 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.03 101.29 13.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.466 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -112.28 132.66 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.23 -160.03 0.1 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -47.47 -53.3 14.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.571 0.224 . . . . 0.0 111.05 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.42 -109.07 2.91 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -109.41 102.54 11.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.31 . . . . 0.0 110.332 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.92 178.15 10.39 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.745 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 42.4 t -131.71 121.98 25.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.077 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 173.53 7.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 82.5 Cg_exo -45.34 173.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.829 2.353 . . . . 0.0 113.348 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.01 111.4 4.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.45 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.75 95.39 0.48 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.59 68.88 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.23 0.538 . . . . 0.0 109.962 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.25 101.18 2.7 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.1 99.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.036 0.446 . . . . 0.0 110.779 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.76 150.27 47.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.627 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.21 92.96 0.18 Allowed Glycine 0 CA--C 1.529 0.918 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.536 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.34 130.44 2.9 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -92.21 55.25 2.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.407 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.9 68.66 0.53 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.47 107.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.964 0.411 . . . . 0.0 110.895 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.71 88.92 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.139 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.7 122.07 31.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.675 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.57 -178.89 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.411 . . . . 0.0 111.132 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -149.27 143.16 25.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.854 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.12 -175.16 1.39 Allowed 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.627 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -161.55 170.75 19.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.751 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.11 112.68 4.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.87 99.0 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.36 53.43 0.11 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.97 104.79 16.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.578 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.26 143.6 38.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.761 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 24.6 m -133.3 119.7 20.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.503 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.7 -163.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.518 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.639 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -129.09 141.48 51.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.647 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.31 96.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.7 148.03 18.89 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.13 -177.57 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.722 0.296 . . . . 0.0 110.657 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 83.1 p -67.7 158.75 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -160.56 128.18 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.488 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.49 118.26 15.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.714 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 92.2 m -120.19 132.61 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.782 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.24 126.27 10.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.243 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.29 -54.32 41.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.949 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 6.9 p -132.01 -100.33 0.29 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.26 52.48 22.91 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.376 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.34 -166.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.78 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.03 -53.11 1.2 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.89 -82.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.617 0.246 . . . . 0.0 110.362 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.49 127.4 40.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.85 123.6 45.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.218 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -97.45 143.9 27.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.4 26.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.301 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 60.5 m -86.45 -179.03 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.935 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.65 44.11 21.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.98 -176.28 42.01 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.26 25.95 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.419 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -54.2 136.92 42.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.9 103.88 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.03 101.27 13.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.422 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.5 m -112.28 132.62 54.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.784 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.16 -159.93 0.1 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -47.62 -53.27 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.518 0.199 . . . . 0.0 110.999 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.45 -109.22 2.94 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.492 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 27.0 p -109.36 102.56 11.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.739 0.304 . . . . 0.0 110.393 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.86 178.08 10.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.75 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.67 122.06 25.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.145 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.26 173.48 7.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.958 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . 0.417 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 81.7 Cg_exo -45.28 173.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.722 2.281 . . . . 0.0 113.372 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.03 111.39 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.544 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.79 95.36 0.48 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.62 68.91 0.42 Allowed 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 121.235 0.541 . . . . 0.0 109.945 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.38 101.1 2.69 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.19 99.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.008 0.433 . . . . 0.0 110.729 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.56 150.35 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.661 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.3 93.04 0.18 Allowed Glycine 0 CA--C 1.528 0.845 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.575 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.3 130.39 2.9 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -92.07 55.27 2.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.937 0.398 . . . . 0.0 110.752 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.92 68.7 0.53 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.49 107.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.0 110.867 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.76 88.92 2.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.068 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.75 122.09 31.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.53 -178.98 6.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.024 0.44 . . . . 0.0 111.159 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -149.18 143.12 25.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.859 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.16 -175.23 1.4 Allowed 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.649 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.7 p -161.52 170.69 19.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.704 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.03 112.61 4.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.554 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.91 99.17 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.21 53.53 0.11 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.0 104.78 16.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 110.573 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.26 143.61 38.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.713 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 24.3 m -133.31 119.69 20.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.491 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.64 -163.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 56.3 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.552 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -129.14 141.51 51.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.537 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 2.0 t 63.27 96.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.655 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.77 148.04 18.88 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -125.93 -177.26 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 0.0 110.57 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 82.9 p -67.96 158.7 32.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.787 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -160.54 128.22 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.496 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.41 118.68 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.714 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 90.8 m -120.75 132.67 55.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.51 . . . . 0.0 110.697 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.2 127.07 11.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.25 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -55.35 -54.14 47.33 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.805 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 6.2 p -132.03 -99.21 0.3 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.37 52.7 18.09 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.403 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.55 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.892 0.377 . . . . 0.0 110.731 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.66 -53.25 1.14 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.66 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.605 0.241 . . . . 0.0 110.411 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.54 127.71 41.3 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.643 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 35.9 t -101.09 123.64 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.229 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.53 143.84 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 111.095 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.35 26.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.32 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -86.5 -179.04 6.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.907 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 57.68 44.16 21.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.0 -176.27 42.03 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.28 25.94 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.416 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 69.9 m -54.3 137.0 42.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.736 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.91 103.93 16.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -94.19 101.24 13.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.379 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -112.11 132.89 54.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.757 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.48 -159.83 0.11 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -47.8 -53.13 16.39 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.881 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.51 -109.43 2.98 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.442 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 27.6 p -109.25 102.52 11.45 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.99 178.16 10.37 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.407 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -131.56 122.57 26.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.997 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.47 173.39 7.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.771 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' H' ' 72' ' ' PRO . 84.4 Cg_exo -45.51 173.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.71 2.273 . . . . 0.0 113.263 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.16 111.71 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.545 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.65 95.61 0.47 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.58 68.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 109.972 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.84 101.49 2.71 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.86 99.55 0.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 110.602 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.15 150.95 44.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.55 93.14 0.18 Allowed Glycine 0 CA--C 1.528 0.856 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.499 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.18 130.51 2.92 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -92.19 55.75 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.854 0.359 . . . . 0.0 110.593 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.19 68.74 0.52 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.47 107.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 110.862 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.83 88.81 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.112 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.57 122.11 32.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 71.9 m -149.57 -179.3 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.99 0.424 . . . . 0.0 111.193 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -148.94 143.18 26.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.911 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.35 -175.57 1.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.559 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.3 p -161.13 170.8 19.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.8 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.88 112.61 4.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.486 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -122.11 99.74 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.134 0.493 . . . . 0.0 110.748 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.78 53.93 0.11 Allowed Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.344 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.0 104.73 16.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.698 0.285 . . . . 0.0 110.639 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.35 143.58 37.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.79 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.34 119.74 20.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.67 -163.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.532 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.593 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -110.36 112.05 23.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.5 t -148.15 101.02 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.745 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.34 -172.25 45.22 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.2 t80 63.46 146.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.647 0.26 . . . . 0.0 110.724 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.6 t 176.2 94.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.85 155.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.638 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.6 t -67.19 137.67 56.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.409 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.2 m -120.39 130.54 54.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.969 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -146.38 124.08 11.86 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.801 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.76 -52.01 16.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 111.439 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -132.47 -179.49 5.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.693 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.03 69.2 1.42 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 31.81 71.03 0.09 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.104 0.532 . . . . 0.0 112.199 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.33 95.16 0.35 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.76 88.82 0.11 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.57 149.31 25.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.46 137.47 42.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.19 105.21 14.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.442 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.4 m -119.85 23.43 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.27 151.63 45.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.68 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -111.2 133.61 53.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.569 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.37 93.48 0.17 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -138.87 146.4 41.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.469 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.3 144.75 46.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.11 58.53 5.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.41 132.46 39.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.448 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.5 m -133.75 134.87 43.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.014 0.435 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 -160.56 0.71 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.36 -62.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.4 . . . . 0.0 111.178 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -94.53 0.9 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.6 p -116.33 112.09 21.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.168 0.508 . . . . 0.0 110.552 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -161.6 133.26 5.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.547 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.2 m -106.88 125.01 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.745 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.94 173.49 7.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.94 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' B' ' 72' ' ' PRO . 61.7 Cg_exo -49.7 -179.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.744 2.296 . . . . 0.0 113.485 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -144.64 111.61 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.207 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.66 -83.5 0.33 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -103.3 -53.24 2.85 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.599 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.84 120.08 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.63 89.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.746 0.308 . . . . 0.0 110.22 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.69 101.57 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.138 0.494 . . . . 0.0 110.841 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.53 -149.55 12.13 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.03 72.88 0.4 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.54 141.44 25.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.15 -47.83 0.7 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.11 133.18 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.6 t -136.19 96.88 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.213 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.96 98.66 6.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.333 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 t -144.5 165.1 28.93 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.475 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.2 m -142.34 116.67 9.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.362 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.58 -177.35 4.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 111.176 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.45 174.95 5.7 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.576 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -147.07 147.31 30.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.158 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -107.38 -76.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.131 0.491 . . . . 0.0 111.213 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.52 67.52 0.96 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.47 116.56 29.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.539 0.209 . . . . 0.0 110.546 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.08 157.27 7.71 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.445 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.3 m -114.51 135.01 54.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.348 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 59.96 -164.58 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.53 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.522 -179.926 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -110.37 112.18 23.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.538 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -148.19 100.86 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.723 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.49 -172.28 45.26 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 21.1 t80 63.4 146.66 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.652 0.263 . . . . 0.0 110.703 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t 175.95 94.21 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.91 155.6 0.62 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.611 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 26.1 t -67.06 137.68 56.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.512 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.3 m -120.29 130.66 54.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.062 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.44 124.07 11.81 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.157 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.89 -52.43 14.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 111.425 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -132.1 -178.94 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.793 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.39 70.48 1.24 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.34 71.63 0.07 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.85 95.22 0.39 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.8 88.53 0.11 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.931 0.396 . . . . 0.0 110.118 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.49 149.2 25.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.631 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.44 137.42 42.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -110.15 105.22 14.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 67.5 m -119.92 23.48 11.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.2 m -70.25 151.72 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.721 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -111.3 133.74 53.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.512 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.17 93.71 0.16 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.05 146.42 40.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.73 0.3 . . . . 0.0 110.407 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -135.3 144.73 46.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.05 58.58 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.39 132.4 39.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.487 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 52.7 m -133.52 134.93 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.82 -160.48 0.73 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.57 -62.47 1.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 111.028 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.66 -94.52 0.9 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 21.2 p -116.16 112.15 21.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.888 0.375 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -161.59 133.12 5.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.541 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -106.52 124.91 50.32 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.48 173.83 6.99 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.819 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 70.0 Cg_exo -49.39 -177.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.782 2.321 . . . . 0.0 113.452 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -147.07 110.6 4.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.118 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.65 -83.52 0.32 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -102.7 -53.35 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.698 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.98 120.58 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.25 89.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.733 0.301 . . . . 0.0 110.226 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.36 101.5 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.857 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.67 -149.03 11.83 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.97 72.95 0.39 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.57 141.6 25.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.102 0.477 . . . . 0.0 111.343 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.13 -47.64 0.71 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.14 133.27 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.738 0.304 . . . . 0.0 110.501 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -136.3 96.91 3.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.163 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.95 98.38 6.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.366 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.05 165.14 28.61 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.506 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 64.7 m -142.39 116.61 9.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.403 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.63 -177.42 4.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.005 0.431 . . . . 0.0 111.239 -178.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 79.2 p -169.41 174.98 5.71 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.694 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.98 147.21 30.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.31 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -107.76 -76.81 0.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.075 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.4 67.94 0.96 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.36 116.34 29.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.547 0.213 . . . . 0.0 110.639 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.13 157.0 7.47 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.523 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.9 m -114.19 135.17 54.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.42 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 59.98 -164.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.611 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -110.33 112.17 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -148.18 100.92 3.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.727 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.46 -172.27 45.25 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 t80 63.35 146.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.764 0.316 . . . . 0.0 110.714 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t 175.98 94.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.96 155.52 0.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.669 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -66.96 137.73 56.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.522 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -120.33 130.55 54.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.025 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -146.37 124.06 11.86 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.233 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.98 -52.41 14.59 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.404 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.06 -178.72 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.872 0.367 . . . . 0.0 110.744 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.23 70.58 1.23 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 30.27 71.72 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.92 95.18 0.39 Allowed Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.96 88.53 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.013 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -155.56 149.17 25.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 42.3 t -135.34 137.46 42.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.18 105.22 14.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 67.6 m -119.9 23.52 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.796 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.2 151.63 45.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.723 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -111.22 133.74 53.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.544 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.25 93.72 0.16 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.14 146.32 40.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 110.395 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -135.26 144.77 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.12 58.5 5.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.4 132.45 39.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.479 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 52.8 m -133.61 134.97 43.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -160.42 0.75 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -62.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.646 0.26 . . . . 0.0 110.995 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.75 -94.64 0.9 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 21.1 p -116.15 112.22 21.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.496 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -161.61 133.2 5.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.494 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -106.53 124.92 50.33 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 173.98 6.76 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.829 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' D' ' 72' ' ' PRO . 72.9 Cg_exo -49.46 -177.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.843 2.362 . . . . 0.0 113.378 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -147.18 110.62 4.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.074 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.64 -83.54 0.32 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -102.77 -53.26 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.675 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.98 120.52 0.01 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.38 89.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.47 101.59 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.7 -149.06 11.83 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.01 72.92 0.4 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.51 141.65 24.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.121 0.486 . . . . 0.0 111.32 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.09 -47.62 0.71 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.09 133.21 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.746 0.307 . . . . 0.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.0 t -136.28 96.9 3.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.218 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.93 98.32 6.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.437 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.03 165.13 28.64 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.499 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 64.9 m -142.33 116.56 9.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.378 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.38 4.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.945 0.402 . . . . 0.0 111.275 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.3 p -169.42 174.96 5.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -146.96 147.21 30.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.265 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.79 -76.95 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.114 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.25 67.99 0.99 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.38 116.33 29.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.592 0.234 . . . . 0.0 110.636 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.07 156.98 7.52 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.533 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -114.2 135.04 54.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.523 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 60.11 -164.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.456 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.591 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.3 112.07 23.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.558 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 43.4 t -148.14 100.97 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.743 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.45 -172.37 45.33 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 21.1 t80 63.37 146.65 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.741 0.305 . . . . 0.0 110.78 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 6.8 t 175.99 94.16 0.01 OUTLIER 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.97 155.6 0.61 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.617 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 25.8 t -67.03 137.8 56.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.533 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -120.47 130.31 54.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.149 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.18 124.2 12.09 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.177 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.13 -52.3 14.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.878 0.37 . . . . 0.0 111.373 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.13 -178.83 5.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.915 0.388 . . . . 0.0 110.807 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.26 70.63 1.22 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.25 71.87 0.06 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.96 95.24 0.4 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.86 88.6 0.11 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.07 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.63 149.2 25.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.4 137.43 42.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -110.16 105.15 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.509 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 68.1 m -119.82 23.52 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.759 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.24 151.67 45.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.727 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -111.19 133.77 53.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.17 93.77 0.16 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -139.16 146.29 40.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.673 0.273 . . . . 0.0 110.455 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 70.7 m -135.28 144.75 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.779 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.24 58.39 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.38 132.57 39.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.377 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 51.9 m -133.99 134.84 42.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.038 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.73 -160.4 0.7 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -62.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.649 0.261 . . . . 0.0 111.024 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.36 -94.53 0.91 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 21.1 p -116.11 112.25 21.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.348 . . . . 0.0 110.695 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -161.76 133.08 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.509 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -106.56 124.84 50.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.801 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 173.95 6.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.874 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 70.4 Cg_exo -49.45 -177.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.798 2.332 . . . . 0.0 113.451 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -147.13 110.56 4.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.125 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.62 -83.49 0.32 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -102.71 -53.42 2.87 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.672 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.15 120.64 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.35 89.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.326 . . . . 0.0 110.231 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.22 101.35 4.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.981 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.67 -149.04 11.84 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.9 73.06 0.38 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.56 141.63 24.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.096 0.474 . . . . 0.0 111.307 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.08 -47.48 0.72 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.01 133.3 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -136.29 96.89 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.183 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.96 98.38 6.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.406 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.11 165.08 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.559 -0.457 . . . . 0.0 111.435 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 64.4 m -142.34 116.6 9.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.351 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.54 -177.16 4.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.903 0.382 . . . . 0.0 111.261 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 78.9 p -169.56 174.87 5.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.679 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -146.89 147.07 30.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.272 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.75 -76.63 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.25 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.51 68.07 0.94 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.37 116.2 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.533 0.206 . . . . 0.0 110.699 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.01 156.98 7.6 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.496 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.18 135.12 54.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.459 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 59.92 -164.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.467 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.615 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.28 111.76 23.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -147.82 100.54 3.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.55 -172.31 45.3 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 t80 63.46 146.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.726 0.298 . . . . 0.0 110.687 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 6.8 t 176.04 94.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.94 155.6 0.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.641 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 25.9 t -67.07 137.82 56.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.467 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -120.41 130.61 54.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.028 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -146.59 125.04 12.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 111.408 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -76.63 -49.18 16.85 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 119.248 -0.981 . . . . 0.0 111.559 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 7.7 t -130.81 -179.04 5.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.849 0.356 . . . . 0.0 111.284 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 75.0 70.88 1.2 Allowed Glycine 0 C--O 1.222 -0.625 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' E' ' 49' ' ' GLY . 12.1 m-85 26.87 76.44 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.281 0.632 . . . . 0.0 111.151 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.5 92.87 0.44 Allowed Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 68.78 88.77 0.11 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.95 0.405 . . . . 0.0 109.991 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.56 149.27 25.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.561 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.36 137.55 42.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.548 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -110.25 105.23 14.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.504 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 67.8 m -119.89 23.56 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -70.28 151.67 45.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.674 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.19 133.77 53.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.534 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.22 93.63 0.16 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -138.98 146.36 40.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.7 0.286 . . . . 0.0 110.453 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -135.35 144.77 46.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.742 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 48.83 59.1 4.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.72 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.88 132.63 39.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.306 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -133.73 134.92 43.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.18 -161.91 0.72 Allowed Glycine 0 CA--C 1.524 0.609 0 O-C-N 124.389 1.056 . . . . 0.0 110.641 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -45.79 -62.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.686 0.279 . . . . 0.0 111.104 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.94 -94.73 0.9 Allowed Glycine 0 N--CA 1.462 0.409 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 21.2 p -116.21 111.94 20.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.675 0.867 . . . . 0.0 110.337 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -161.36 134.24 6.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.272 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 70.7 m -107.55 126.66 52.81 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.41 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.7 173.9 6.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 O-C-N 124.202 0.939 . . . . 0.0 109.511 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . 0.445 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 66.3 Cg_exo -49.17 -178.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 123.133 2.555 . . . . 0.0 113.353 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -145.9 114.1 6.62 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.857 -1.065 . . . . 0.0 108.494 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 127.3 -84.8 0.33 Allowed Glycine 0 CA--C 1.535 1.286 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -102.23 -52.39 3.15 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.812 0.306 . . . . 0.0 110.904 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.52 120.99 0.01 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 2.5 t 48.17 91.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.45 102.51 6.03 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.611 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.2 -148.78 11.37 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.85 72.82 0.41 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.82 140.86 28.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.256 0.551 . . . . 0.0 111.186 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.56 -44.61 0.82 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 168.8 133.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.851 0.358 . . . . 0.0 110.398 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 14.0 t -136.4 96.35 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.368 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.43 97.2 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.609 0.568 . . . . 0.0 110.286 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -143.45 164.95 28.88 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.441 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 64.8 m -142.32 116.69 9.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.437 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.95 -177.58 5.05 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.131 -178.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 79.6 p -169.16 175.46 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.603 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -147.15 147.15 30.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.326 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -107.53 -76.59 0.61 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.376 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.37 67.45 0.99 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -96.21 115.8 28.0 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.0 -0.118 . . . . 0.0 110.936 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -168.56 157.2 8.55 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.56 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -114.16 134.88 54.6 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.146 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 60.34 -164.54 0.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.621 1.201 . . . . 0.0 110.416 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.55 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.32 112.12 23.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.603 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 43.5 t -148.15 100.98 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.728 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.4 -172.3 45.26 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 21.2 t80 63.41 146.65 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.69 0.281 . . . . 0.0 110.723 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t 175.98 94.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.92 155.46 0.61 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.962 0.411 . . . . 0.0 110.668 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 26.2 t -66.98 137.73 56.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.553 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -120.31 130.7 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.04 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -146.56 124.19 11.81 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.25 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.89 -52.59 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.396 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.01 -178.97 5.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.936 0.398 . . . . 0.0 110.787 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.36 70.79 1.2 Allowed Glycine 0 C--O 1.224 -0.52 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 29.97 71.81 0.06 Allowed 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.98 95.07 0.39 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.98 88.53 0.11 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.885 0.374 . . . . 0.0 110.057 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.52 149.23 25.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 42.3 t -135.47 137.42 42.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -110.14 105.13 14.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -119.8 23.48 11.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 75.5 m -70.32 151.71 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.65 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.29 133.72 53.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.474 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.29 93.62 0.16 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.07 146.41 40.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 110.377 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.34 144.73 46.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.758 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.17 58.54 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.54 132.41 39.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.42 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 53.6 m -133.44 135.23 44.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.99 -160.38 0.77 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.62 -62.7 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.663 0.268 . . . . 0.0 110.886 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.85 -94.74 0.91 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 21.2 p -115.92 112.35 21.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 110.453 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -161.71 133.18 5.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.466 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -106.55 124.79 50.14 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.813 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.45 173.88 6.91 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.855 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 70.8 Cg_exo -49.4 -177.39 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.798 2.332 . . . . 0.0 113.465 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -147.16 110.46 4.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.139 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.68 -83.53 0.32 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -102.53 -53.41 2.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.697 0.284 . . . . 0.0 110.667 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.1 120.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.11 89.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.803 0.335 . . . . 0.0 110.339 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.35 101.62 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.814 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.62 -149.01 11.87 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.9 73.02 0.38 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.59 141.6 25.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.176 0.512 . . . . 0.0 111.237 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.1 -47.67 0.71 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.16 133.27 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.797 0.332 . . . . 0.0 110.542 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t -136.24 96.96 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.137 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.99 98.31 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.405 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.06 165.2 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.511 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 65.0 m -142.39 116.55 9.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.377 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.51 -177.31 4.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.934 0.397 . . . . 0.0 111.334 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.51 174.96 5.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.653 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.96 147.15 30.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.348 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -107.72 -77.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.054 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.18 67.96 1.0 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.27 116.35 29.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.481 0.181 . . . . 0.0 110.62 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.12 157.05 7.51 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.582 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.29 135.21 54.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.464 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 59.89 -164.52 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.493 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.565 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.35 112.09 23.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -148.11 100.97 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.754 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.48 -172.28 45.26 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 21.2 t80 63.37 146.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.742 0.306 . . . . 0.0 110.679 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t 176.01 94.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 180.0 155.46 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.655 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 25.9 t -66.92 137.68 56.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.474 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 95.0 m -120.3 130.53 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.028 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.39 124.1 11.87 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.185 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.01 -52.39 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.441 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.08 -178.74 5.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.811 0.339 . . . . 0.0 110.789 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.21 70.56 1.23 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 30.34 71.68 0.07 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.89 95.13 0.39 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.87 88.62 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.885 0.374 . . . . 0.0 110.023 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.56 149.17 25.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.62 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -135.49 137.45 42.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.576 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -110.2 105.15 14.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 67.1 m -119.8 23.51 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -70.33 151.71 44.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.664 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -111.28 133.7 53.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.533 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.26 93.65 0.16 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.01 146.41 40.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.741 0.305 . . . . 0.0 110.422 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 70.5 m -135.3 144.79 46.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.941 0.401 . . . . 0.0 110.694 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.12 58.55 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.835 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.48 132.44 39.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.411 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 53.7 m -133.54 134.99 44.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.82 -160.38 0.72 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.58 -62.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 111.025 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.72 -94.63 0.9 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.076 -0.809 . . . . 0.0 111.076 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 21.0 p -116.11 112.18 21.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.82 0.343 . . . . 0.0 110.506 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -161.64 133.09 5.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.558 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -106.44 124.9 50.3 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.769 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.57 174.03 6.68 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.809 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . 0.437 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 71.7 Cg_exo -49.48 -177.36 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.777 2.318 . . . . 0.0 113.429 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -147.15 110.47 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.168 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.66 -83.43 0.32 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -102.7 -53.46 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.778 -0.248 . . . . 0.0 110.728 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.18 120.61 0.01 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 2.3 t 49.32 89.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.36 101.49 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.831 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.64 -149.02 11.86 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.95 72.99 0.39 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.63 141.68 25.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 111.259 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.06 -47.57 0.71 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.04 133.33 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.844 0.355 . . . . 0.0 110.446 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 13.6 t -136.29 96.94 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.205 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -116.01 98.36 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.393 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 11.3 t -144.03 165.19 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.399 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 64.1 m -142.38 116.6 9.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.391 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.33 4.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.946 0.403 . . . . 0.0 111.325 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 79.0 p -169.46 174.94 5.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.607 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.93 147.14 30.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.342 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.76 -76.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.099 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.25 68.07 0.98 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.4 116.26 29.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.572 0.225 . . . . 0.0 110.614 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -169.06 157.02 7.56 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.558 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -114.16 135.14 54.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.427 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 59.83 -164.45 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.609 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.36 112.14 23.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 43.5 t -148.2 101.01 3.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.74 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.44 -172.32 45.29 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 20.9 t80 63.38 146.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.725 0.297 . . . . 0.0 110.725 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 6.8 t 176.05 94.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.89 155.48 0.62 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.969 0.414 . . . . 0.0 110.587 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -67.01 137.77 56.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.501 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -120.36 130.52 54.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.065 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.36 124.17 11.94 Favored 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.209 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.11 -52.44 14.25 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.327 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.06 -178.85 5.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.89 0.376 . . . . 0.0 110.729 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.31 70.55 1.23 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.24 71.76 0.07 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.92 95.13 0.39 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.87 88.61 0.11 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.59 149.22 25.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.43 137.46 42.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -110.22 105.26 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.444 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 67.4 m -119.91 23.43 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.799 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.21 151.63 45.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.701 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.28 133.66 53.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.509 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.31 93.57 0.16 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -138.94 146.38 40.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.681 0.277 . . . . 0.0 110.5 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.35 144.72 46.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.777 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.15 58.51 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.5 132.51 39.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.367 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 52.0 m -133.62 134.97 43.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.84 -160.29 0.72 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -62.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.638 0.256 . . . . 0.0 111.012 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.69 -94.63 0.91 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 21.2 p -116.18 112.26 21.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.476 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -161.6 133.16 5.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.465 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -106.6 124.89 50.28 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.709 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.49 173.92 6.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.858 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . 0.437 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 70.0 Cg_exo -49.41 -177.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.861 2.374 . . . . 0.0 113.414 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -147.23 110.49 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.141 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.75 -83.52 0.32 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -102.62 -53.4 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.678 0.275 . . . . 0.0 110.727 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.1 120.66 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 2.3 t 49.26 89.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.718 0.294 . . . . 0.0 110.302 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.32 101.61 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.8 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.66 -149.01 11.84 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.98 72.97 0.39 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.61 141.59 25.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.106 0.479 . . . . 0.0 111.327 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.18 -47.64 0.71 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.07 133.35 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.808 0.337 . . . . 0.0 110.464 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 13.8 t -136.31 96.94 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.18 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.98 98.24 6.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.383 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -143.93 165.2 28.41 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.522 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 64.9 m -142.34 116.52 9.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.383 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.44 4.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.947 0.404 . . . . 0.0 111.257 -178.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.34 174.97 5.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.68 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.91 147.14 30.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.311 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -107.76 -76.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.26 68.06 0.98 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.31 116.14 28.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.538 0.209 . . . . 0.0 110.752 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -168.94 156.98 7.72 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.526 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.19 135.18 54.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.443 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 59.97 -164.53 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.544 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.35 112.06 23.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 43.8 t -148.08 101.06 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.773 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.4 -172.4 45.34 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 21.2 t80 63.13 146.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t 176.13 93.99 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.814 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.66 155.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.637 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -66.75 137.98 57.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.446 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -120.66 130.44 54.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.042 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -146.2 125.51 13.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -74.71 -52.65 11.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -131.9 -178.8 5.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.852 0.358 . . . . 0.0 110.802 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.35 70.6 1.23 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.12 72.94 0.05 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.034 0.49 . . . . 0.0 112.141 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.04 94.97 0.47 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.9 87.99 0.12 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.921 0.391 . . . . 0.0 110.127 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.02 149.29 26.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.668 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -135.47 137.52 42.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.483 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -110.22 105.25 14.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.455 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 67.8 m -119.94 23.45 11.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 75.1 m -70.18 151.62 45.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.659 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -111.21 133.65 53.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 93.47 0.16 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -138.85 146.5 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.466 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 70.5 m -135.36 144.77 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.941 0.401 . . . . 0.0 110.718 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.15 58.39 5.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.42 132.52 39.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.437 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 52.0 m -133.52 135.29 44.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.09 -160.18 0.77 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.95 -62.54 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.467 0.175 . . . . 0.0 110.912 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.88 -94.78 0.91 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -116.08 112.15 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.47 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -161.65 133.13 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.279 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -106.25 125.44 51.0 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.75 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.88 173.84 6.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.696 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . 0.414 ' O ' ' HA ' ' H' ' 72' ' ' PRO . 77.7 Cg_exo -49.65 -176.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.837 2.358 . . . . 0.0 113.234 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -147.43 111.04 4.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.111 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.78 -83.39 0.32 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -102.31 -53.57 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.728 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.4 120.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.16 89.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.731 0.3 . . . . 0.0 110.216 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.13 101.58 4.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.872 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.61 -148.86 11.82 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.97 73.18 0.37 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.88 142.2 25.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.393 0.615 . . . . 0.0 111.078 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.97 -47.34 0.73 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 170.95 133.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.716 0.293 . . . . 0.0 110.525 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 14.3 t -136.35 96.91 3.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.204 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -116.03 98.28 6.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.311 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 11.6 t -144.02 164.65 30.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 111.512 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 63.0 m -141.82 116.67 9.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.481 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.6 -177.3 4.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.941 0.401 . . . . 0.0 111.309 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 79.2 p -169.5 174.98 5.64 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 5.2 p -146.86 147.09 30.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.403 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -108.21 -77.03 0.6 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.03 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.09 68.51 0.99 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -97.57 116.23 29.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.545 0.212 . . . . 0.0 110.677 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -169.09 156.99 7.51 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.485 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 69.3 m -114.38 135.04 54.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 60.08 -164.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.457 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.532 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.27 -176.4 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.605 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -55.65 96.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.632 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.9 135.68 9.02 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -158.82 131.6 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.73 0.3 . . . . 0.0 110.52 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 t -143.46 133.05 23.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.537 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.47 132.06 10.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.448 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -130.33 147.66 52.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.646 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.4 p -134.24 135.1 42.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.3 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -143.1 144.63 32.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.07 -53.32 2.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.285 0.565 . . . . 0.0 110.751 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.1 p -132.7 -166.49 1.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.458 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -39.44 3.11 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.445 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.49 -166.62 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.24 -47.38 30.01 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.71 -81.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.945 0.438 . . . . 0.0 110.004 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.5 m -101.67 127.35 48.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.273 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -126.0 131.69 52.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.618 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -92.82 -174.45 3.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.513 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.4 m -138.39 154.76 48.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -163.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.811 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -123.77 24.39 8.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.605 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.0 135.67 2.38 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 53.28 40.86 31.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.685 0.279 . . . . 0.0 110.725 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.87 139.5 46.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.598 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.88 86.03 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.521 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.59 131.4 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.8 m -121.29 127.67 51.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.82 -162.08 0.29 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.29 -57.96 10.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.687 0.28 . . . . 0.0 111.306 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.55 -90.41 0.52 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.4 p -116.31 110.97 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.25 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.89 160.65 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.484 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.2 m -118.36 122.45 42.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.348 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.42 173.29 6.97 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.101 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' B' ' 72' ' ' PRO . 81.0 Cg_exo -43.72 167.16 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.702 2.268 . . . . 0.0 113.562 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -143.26 111.44 6.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.148 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.72 -82.18 0.33 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.88 92.46 3.91 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.212 0.529 . . . . 0.0 110.456 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.77 -91.14 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.46 140.34 27.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.991 0.424 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.34 101.3 2.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.185 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.16 101.13 0.04 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.46 101.4 0.44 Allowed Glycine 0 CA--C 1.518 0.271 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -91.24 -70.61 0.68 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.058 0.456 . . . . 0.0 110.181 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.6 -59.2 1.22 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.46 136.12 16.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.787 0.327 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.36 101.5 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -131.92 126.81 35.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.779 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.4 p -149.31 175.73 11.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.053 0.454 . . . . 0.0 111.238 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t -147.41 125.44 12.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.06 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.92 175.51 13.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.941 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.3 p -170.98 177.55 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.807 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.0 p -162.38 165.59 26.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.264 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -81.09 -72.69 0.41 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.712 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.27 72.72 0.04 OUTLIER Glycine 0 CA--C 1.528 0.848 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.769 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.4 167.92 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.665 0.269 . . . . 0.0 110.538 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.53 145.31 51.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.22 125.19 46.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.319 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 57.2 -163.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.546 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.578 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.28 -176.5 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 73.4 m -55.5 96.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.765 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.88 135.7 9.03 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -158.83 131.54 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.314 . . . . 0.0 110.539 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 46.7 t -143.34 133.1 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.532 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.48 132.1 10.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.478 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.21 147.59 51.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.739 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 81.6 p -134.29 134.69 42.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.364 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.61 144.29 32.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.749 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.23 -53.11 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.066 0.46 . . . . 0.0 110.711 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 54.4 p -132.97 -166.44 1.76 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.401 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.65 -39.45 3.11 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.493 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.3 -167.1 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.94 -47.38 32.07 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.68 -81.57 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.932 0.43 . . . . 0.0 109.949 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -101.56 127.36 48.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.319 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.91 131.67 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.662 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -92.77 -174.39 3.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.554 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 63.4 m -138.51 154.75 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.2 -162.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.865 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.21 24.35 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.527 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.06 135.63 2.37 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.29 40.78 31.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.736 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.78 139.58 47.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.92 86.07 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.69 131.46 44.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 82.0 m -121.04 127.79 52.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.99 -162.0 0.3 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.4 -57.94 10.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.447 0.165 . . . . 0.0 111.228 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.78 -90.96 0.54 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -115.95 111.01 19.77 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.85 160.6 10.43 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.458 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 61.4 m -118.19 122.24 42.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.88 173.56 6.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.943 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.417 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 83.0 Cg_exo -43.68 168.59 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.726 2.284 . . . . 0.0 113.395 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -144.79 110.47 5.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.193 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.73 -81.95 0.34 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.73 92.48 3.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.819 0.342 . . . . 0.0 110.365 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.84 -90.85 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -145.36 140.32 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.22 100.89 2.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.263 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.96 101.26 0.04 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.43 101.27 0.43 Allowed Glycine 0 CA--C 1.519 0.288 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -91.52 -70.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.188 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.69 -58.98 1.22 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.53 136.27 16.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.746 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.45 101.57 2.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.316 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.16 125.79 32.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -148.18 176.04 10.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.057 0.456 . . . . 0.0 111.311 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 44.6 t -147.43 125.31 11.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.136 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.87 175.54 13.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.388 . . . . 0.0 110.907 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.09 177.47 3.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.757 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 95.2 p -162.2 165.44 26.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -81.16 -72.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.565 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.08 72.53 0.04 OUTLIER Glycine 0 CA--C 1.527 0.794 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.697 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.27 167.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.652 0.263 . . . . 0.0 110.522 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.5 145.29 51.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -121.23 125.3 46.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.256 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 57.18 -163.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.594 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.26 -176.45 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 73.6 m -55.73 96.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.676 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.95 135.64 9.01 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -158.8 131.57 7.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.712 0.291 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 46.3 t -143.4 133.1 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.573 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.47 132.04 10.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.476 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -130.2 147.54 51.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.723 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.3 134.75 42.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.302 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -142.67 144.31 32.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.719 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.16 -53.3 2.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.042 0.449 . . . . 0.0 110.85 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 54.3 p -132.85 -166.43 1.75 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.437 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.66 -39.57 3.1 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.459 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.4 -167.09 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.97 -47.38 31.91 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.7 -81.66 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.973 0.455 . . . . 0.0 109.962 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 67.3 m -101.58 127.37 48.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.31 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.93 131.7 52.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.616 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -92.86 -174.36 3.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 62.4 m -138.58 154.72 48.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.821 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -162.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.941 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -124.3 24.38 8.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.05 135.69 2.38 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.33 40.72 31.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 0.0 110.719 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.81 139.56 47.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.85 86.11 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.522 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.69 131.47 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.617 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 80.4 m -121.08 127.88 52.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -161.99 0.32 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.36 -58.04 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.543 0.211 . . . . 0.0 111.199 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.82 -90.92 0.54 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.8 p -115.97 111.05 19.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.85 160.61 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.181 -0.607 . . . . 0.0 111.383 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 59.7 m -118.25 122.38 42.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.329 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.9 173.56 6.75 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . 0.417 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 81.5 Cg_exo -43.62 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.662 2.241 . . . . 0.0 113.414 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -144.9 110.45 5.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.188 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.88 -82.01 0.34 Allowed Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.78 92.56 3.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 0.0 110.307 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.87 -90.73 0.01 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -145.4 140.38 27.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.438 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.25 100.94 2.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.187 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.07 101.29 0.04 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.41 101.23 0.42 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -91.49 -70.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.373 . . . . 0.0 110.182 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.66 -59.05 1.22 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -152.5 136.28 16.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.32 . . . . 0.0 110.767 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.45 101.57 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.34 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -132.18 125.69 31.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.884 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 92.6 p -148.12 176.02 10.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.957 0.408 . . . . 0.0 111.262 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.4 125.35 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.107 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.92 175.45 13.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.922 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -170.99 177.45 3.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.756 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 96.2 p -162.22 165.49 26.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.45 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -81.14 -72.8 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.18 72.48 0.04 OUTLIER Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.622 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.25 167.79 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.73 0.3 . . . . 0.0 110.48 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.52 145.26 51.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -121.22 125.19 46.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.33 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 10.0 t 57.27 -163.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.479 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 66.9 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.535 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.32 -176.5 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -55.61 96.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.679 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.96 135.72 9.04 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -158.8 131.73 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.669 0.271 . . . . 0.0 110.626 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 46.6 t -143.51 133.15 23.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.598 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.48 132.02 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.459 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.21 147.61 51.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.742 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 81.5 p -134.22 134.78 42.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.456 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.63 144.21 32.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.647 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.25 -53.09 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.04 0.448 . . . . 0.0 110.537 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 54.4 p -133.02 -166.35 1.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.488 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -39.48 3.11 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.406 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.55 -166.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.23 -47.35 30.21 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.78 -81.7 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 122.747 0.419 . . . . 0.0 110.012 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 67.9 m -101.5 127.37 48.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.303 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.84 131.73 52.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.671 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -92.84 -174.24 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.452 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.71 154.76 48.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -162.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.872 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.29 24.32 8.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.556 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.03 135.66 2.38 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 53.24 40.77 31.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.834 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 47.6 t -72.86 139.61 47.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.537 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.89 85.93 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.62 131.38 44.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 76.6 m -121.25 127.46 51.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.021 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.78 -161.91 0.27 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.51 -57.64 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.49 0.186 . . . . 0.0 111.197 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.42 -90.8 0.54 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.6 p -115.94 110.7 19.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.579 0.228 . . . . 0.0 110.574 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.7 160.74 10.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.449 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 60.4 m -118.29 122.41 42.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.378 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.92 173.61 6.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.95 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 83.7 Cg_exo -43.69 168.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.713 2.275 . . . . 0.0 113.406 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -144.89 110.4 5.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.242 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.82 -81.89 0.34 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 92.55 3.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 110.4 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.84 -90.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.4 140.54 27.71 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.38 100.96 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.563 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.91 101.08 0.04 OUTLIER Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.41 101.4 0.44 Allowed Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -91.51 -70.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.976 0.417 . . . . 0.0 110.216 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -59.04 1.22 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -152.5 136.31 16.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.48 101.52 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.361 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.12 125.76 32.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 93.0 p -148.18 176.08 10.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 111.309 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t -147.51 125.32 11.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.026 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.9 175.42 13.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.977 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -171.0 177.55 3.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.675 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 95.5 p -162.22 165.43 26.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.507 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -81.15 -72.77 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.584 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.12 72.5 0.04 OUTLIER Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.606 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.33 167.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.712 0.292 . . . . 0.0 110.508 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.48 145.28 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.17 125.17 46.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.32 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 10.0 t 57.25 -163.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.499 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 67.4 t80 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.618 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.18 -176.37 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 72.8 m -55.09 95.43 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.309 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.3 135.76 9.03 Favored Glycine 0 C--N 1.337 0.586 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -158.99 131.58 6.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.738 0.304 . . . . 0.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 46.5 t -143.41 133.06 23.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.595 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.42 132.05 10.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.543 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.25 147.57 51.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.739 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 82.2 p -134.35 134.89 42.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.241 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -142.05 144.53 33.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.784 0.678 . . . . 0.0 110.954 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.25 -49.39 2.17 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 119.184 -1.006 . . . . 0.0 112.244 177.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 53.3 p -131.08 -165.81 1.61 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.681 0.753 . . . . 0.0 110.76 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.05 -32.22 3.56 Favored Glycine 0 C--N 1.313 -0.739 0 CA-C-O 118.286 -1.285 . . . . 0.0 111.851 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 167.33 -166.58 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 118.902 1.351 . . . . 0.0 108.605 176.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.85 -44.06 25.99 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 119.42 -1.372 . . . . 0.0 111.109 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.25 -83.72 0.0 OUTLIER 'General case' 0 C--N 1.346 0.453 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 68.0 m -100.65 127.41 47.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.144 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -126.02 131.64 52.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.612 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -92.81 -174.36 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.461 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 63.3 m -138.55 154.7 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.761 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -162.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.934 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -124.11 24.29 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.09 135.69 2.38 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.27 40.73 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 0.0 110.807 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 47.7 t -72.84 139.58 47.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.619 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.82 85.75 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.592 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.52 131.43 44.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.62 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 77.0 m -121.05 127.79 52.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.642 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.52 -162.34 0.28 Allowed Glycine 0 CA--C 1.524 0.638 0 O-C-N 124.002 0.814 . . . . 0.0 111.153 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.23 -58.43 8.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.5 0.19 . . . . 0.0 111.096 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.13 -91.3 0.54 Allowed Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.8 p -115.88 110.58 19.22 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.398 0.705 . . . . 0.0 110.192 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.31 161.02 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.19 -0.604 . . . . 0.0 111.417 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 58.9 m -118.73 123.38 44.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.212 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.86 173.43 6.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 O-C-N 124.75 1.281 . . . . 0.0 109.543 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . 0.42 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 85.0 Cg_exo -43.74 168.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.667 2.245 . . . . 0.0 113.253 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -144.6 114.15 7.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.546 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.42 -82.98 0.33 Allowed Glycine 0 CA--C 1.539 1.588 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.69 90.79 3.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 122.754 -0.262 . . . . 0.0 111.049 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.64 -90.86 0.01 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.57 140.19 27.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.024 0.44 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.46 101.02 3.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.45 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.64 103.06 0.07 OUTLIER Glycine 0 CA--C 1.526 0.78 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.85 102.37 0.63 Allowed Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -90.11 -72.71 0.55 Allowed 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 121.59 0.709 . . . . 0.0 110.6 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.61 -59.27 1.28 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 47.4 t -152.38 136.2 16.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.706 0.289 . . . . 0.0 110.796 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -150.23 100.31 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -131.39 125.03 31.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 93.0 p -148.09 175.68 10.82 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.125 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.38 125.39 12.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.072 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.03 175.27 14.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.888 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 83.7 p -170.14 178.39 3.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 97.5 p -162.63 165.31 25.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.477 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -80.88 -72.43 0.42 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.967 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.83 70.3 0.04 OUTLIER Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.821 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.32 167.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.964 0.382 . . . . 0.0 110.59 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.51 145.3 51.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -121.14 125.17 46.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.138 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 10.1 t 57.3 -163.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.501 0.501 . . . . 0.0 110.494 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 67.1 t80 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.55 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.36 -176.54 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 73.4 m -55.56 96.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.697 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.89 135.56 8.98 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -158.82 131.33 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.683 0.278 . . . . 0.0 110.49 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 46.6 t -143.27 133.07 23.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.534 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.42 132.13 10.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.546 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -130.28 147.51 52.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.2 134.69 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.356 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -142.51 144.17 32.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.799 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.17 -53.3 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 110.694 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 54.2 p -132.78 -166.41 1.75 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.448 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.59 -39.44 3.11 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.497 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.31 -167.2 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.93 -47.36 32.27 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.72 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 124.015 0.479 . . . . 0.0 109.977 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 67.5 m -101.63 127.35 48.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.28 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.91 131.59 52.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.729 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.77 -174.44 3.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.47 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 63.3 m -138.55 154.73 48.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -162.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.899 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.2 24.27 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.98 135.68 2.38 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.33 40.73 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.338 . . . . 0.0 110.748 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.74 139.75 47.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.609 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.97 86.04 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.79 131.54 44.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 81.4 m -121.1 128.43 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.46 -161.83 0.37 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.35 -58.38 8.76 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.201 -0.199 . . . . 0.0 111.159 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.05 -91.08 0.54 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -115.68 111.23 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.98 160.75 10.27 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.378 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 59.5 m -118.36 122.36 42.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.277 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.92 173.64 6.64 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 82.9 Cg_exo -43.65 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.788 2.325 . . . . 0.0 113.325 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -144.91 110.37 5.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.195 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.91 -81.99 0.34 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.63 92.46 3.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.341 . . . . 0.0 110.384 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.8 -90.87 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.47 140.45 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.055 0.455 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.35 100.81 2.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.212 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.86 101.33 0.04 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.36 101.07 0.41 Allowed Glycine 0 CA--C 1.518 0.243 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -91.35 -70.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.343 . . . . 0.0 110.145 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -59.03 1.22 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.44 136.2 16.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.38 101.46 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.391 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.07 125.73 32.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 93.2 p -148.09 176.1 10.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.011 0.434 . . . . 0.0 111.334 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.43 125.35 12.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.113 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.84 175.47 13.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.958 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.03 177.54 3.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.744 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 95.8 p -162.31 165.48 26.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.455 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -81.29 -72.86 0.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.514 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.29 72.48 0.04 OUTLIER Glycine 0 CA--C 1.525 0.673 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.576 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.31 167.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 110.435 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.54 145.3 51.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.8 m -121.23 125.29 46.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.325 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 10.0 t 57.18 -163.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.551 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.612 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.3 -176.46 4.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.547 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 73.4 m -55.61 96.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.668 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.9 135.59 8.99 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -158.68 131.55 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.692 0.282 . . . . 0.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 46.2 t -143.4 133.0 23.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.626 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.32 132.18 10.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -130.24 147.6 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.748 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.3 134.82 42.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.276 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.73 144.23 32.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.743 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.26 -53.04 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.037 0.446 . . . . 0.0 110.699 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 54.3 p -133.0 -166.42 1.76 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.438 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.68 -39.56 3.1 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.467 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.37 -167.12 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.93 -47.42 31.98 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.75 -81.63 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 124.014 0.479 . . . . 0.0 109.903 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 67.0 m -101.56 127.43 48.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.316 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.96 131.66 52.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.608 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -92.74 -174.34 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.54 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.54 154.78 48.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.731 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -162.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.888 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.21 24.29 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.518 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.06 135.62 2.37 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.4 40.72 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.693 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.74 139.53 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.9 86.07 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.509 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.74 131.5 44.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 81.0 m -121.02 127.92 52.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.774 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -161.8 0.31 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.62 -58.02 10.25 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.14 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.81 -90.92 0.54 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 19.8 p -115.91 111.04 19.84 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.82 160.69 10.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.53 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 60.8 m -118.29 122.36 42.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.384 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.95 173.59 6.71 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.926 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . 0.421 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 83.0 Cg_exo -43.61 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.733 2.289 . . . . 0.0 113.389 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -144.99 110.49 5.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.049 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.87 -81.91 0.34 Allowed Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.8 92.56 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.91 -90.76 0.01 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.44 140.37 27.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.963 0.411 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.23 100.8 2.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.299 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.93 101.35 0.04 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.4 101.22 0.42 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -91.49 -70.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.781 0.325 . . . . 0.0 110.154 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.59 -59.12 1.22 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -152.43 136.38 16.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 0.0 110.751 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.56 101.55 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.311 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -132.08 125.58 31.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.995 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -147.99 176.07 10.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 111.348 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 44.5 t -147.48 125.33 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.046 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.85 175.46 13.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.992 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -171.04 177.53 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.793 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 95.7 p -162.23 165.5 26.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.498 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -81.22 -72.93 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.538 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.28 72.54 0.04 OUTLIER Glycine 0 CA--C 1.528 0.85 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.559 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.19 167.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.674 0.274 . . . . 0.0 110.539 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.53 145.28 51.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -121.16 125.22 46.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 10.0 t 57.1 -163.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.521 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 67.2 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.613 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.3 -176.53 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -55.62 96.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.706 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.82 135.65 9.01 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -158.82 131.57 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 110.497 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 46.7 t -143.45 133.04 23.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.529 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.36 132.1 10.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.487 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 58.8 m -130.25 147.51 51.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.724 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 81.7 p -134.2 134.73 42.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.338 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.65 144.12 32.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.732 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.1 -53.25 2.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.055 0.455 . . . . 0.0 110.691 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 54.4 p -132.91 -166.38 1.75 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.429 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.61 -39.46 3.11 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.444 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.35 -167.17 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.86 -47.46 32.24 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.78 -81.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.964 0.45 . . . . 0.0 109.939 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 67.1 m -101.51 127.34 48.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.358 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.91 131.76 52.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.603 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.88 -174.48 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.433 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.44 154.82 48.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.754 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -162.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.84 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.2 24.25 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.04 135.65 2.37 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.32 40.72 31.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.786 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 47.7 t -72.81 139.65 47.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.526 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.93 85.98 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.485 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.7 131.52 44.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 79.9 m -121.07 127.94 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.748 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.16 -161.86 0.32 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.4 -58.12 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.518 0.199 . . . . 0.0 111.193 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.84 -90.91 0.54 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 19.8 p -115.89 111.08 19.92 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.83 160.75 10.57 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.446 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 61.0 m -118.33 122.31 42.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.376 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.87 173.58 6.73 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.945 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . 0.42 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 84.6 Cg_exo -43.72 168.76 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.719 2.279 . . . . 0.0 113.338 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -144.95 110.46 5.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.18 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.89 -82.09 0.34 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.59 92.59 3.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.828 0.347 . . . . 0.0 110.346 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.77 -90.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.4 140.41 27.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.985 0.421 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.31 100.76 2.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.278 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.78 101.28 0.04 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.136 -1.185 . . . . 0.0 110.136 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.33 101.27 0.42 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -91.59 -70.45 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -58.92 1.23 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -152.51 136.29 16.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.754 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.43 101.59 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.313 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -132.11 125.57 31.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.94 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -147.98 176.03 10.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.019 0.438 . . . . 0.0 111.353 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 44.3 t -147.37 125.43 12.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.043 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.88 175.51 13.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.954 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.11 177.52 3.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.765 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 96.1 p -162.27 165.42 26.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.495 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -81.09 -72.95 0.4 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.536 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.29 72.42 0.04 OUTLIER Glycine 0 CA--C 1.526 0.74 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.579 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.17 167.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 110.512 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.44 145.36 51.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.22 125.29 46.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.302 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 57.12 -163.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.555 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 67.0 t80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.56 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.25 -176.51 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.558 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 73.4 m -55.59 96.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.757 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.97 135.64 9.01 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -158.83 131.56 6.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.533 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 46.3 t -143.46 132.99 23.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.582 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.36 132.1 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 57.5 m -130.23 147.35 51.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.815 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 81.3 p -134.15 134.58 42.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.385 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -142.84 142.89 31.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.894 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.12 -53.3 2.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.844 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 54.4 p -132.7 -166.2 1.71 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.533 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.68 -39.43 3.11 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 169.97 -167.69 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.29 -47.61 35.4 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.92 -81.56 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.962 0.448 . . . . 0.0 109.947 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -101.68 127.47 48.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 110.189 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -126.04 131.66 52.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -92.9 -174.53 3.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.474 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 63.5 m -138.26 154.93 49.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.788 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.864 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -124.2 24.39 8.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.05 135.69 2.38 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 53.26 40.74 31.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.725 0.298 . . . . 0.0 110.783 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.75 139.62 47.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.92 86.07 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.526 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.79 131.55 44.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.484 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 77.9 m -120.96 128.09 52.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.719 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.34 -161.8 0.35 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.51 -58.08 10.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.254 -0.179 . . . . 0.0 111.067 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.81 -91.04 0.54 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -115.9 110.99 19.78 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.89 160.74 10.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 60.5 m -117.97 122.94 44.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.319 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.13 173.29 7.05 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.807 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . 0.405 ' O ' ' HA ' ' H' ' 72' ' ' PRO . 87.8 Cg_exo -43.95 169.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.7 2.267 . . . . 0.0 113.163 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -145.05 110.87 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.231 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.01 -81.83 0.34 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.5 92.68 3.99 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.87 -90.51 0.01 OUTLIER Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.5 140.34 27.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.402 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.15 100.95 2.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.281 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.28 101.65 0.05 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.29 101.1 0.4 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -91.84 -70.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.221 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.69 -58.85 1.23 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -152.5 136.34 16.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.844 0.354 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.52 101.48 2.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.379 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -132.03 125.5 31.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.781 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 92.1 p -148.07 175.61 10.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.983 0.421 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.02 125.39 12.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.092 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.01 174.91 14.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.966 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -170.46 177.55 4.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 96.1 p -162.21 165.2 27.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -81.11 -72.56 0.42 Allowed 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.521 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 168.68 72.17 0.03 OUTLIER Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.351 -0.928 . . . . 0.0 111.429 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.23 167.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.746 0.308 . . . . 0.0 110.522 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.41 145.31 51.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.8 m -121.3 125.23 46.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.209 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 10.0 t 57.15 -163.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 67.0 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.578 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -108.95 111.3 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.644 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.3 t -150.63 100.32 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.38 178.37 16.37 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -112.51 128.4 56.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.866 0.365 . . . . 0.0 110.505 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.08 -170.27 2.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.62 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.9 -163.08 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.732 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.1 p -71.19 160.92 31.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -141.08 153.88 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.667 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -150.59 163.34 38.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.315 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.17 -53.39 1.83 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.594 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 m -133.8 135.38 43.79 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.003 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.51 76.02 1.03 Allowed Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.319 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 32.35 68.48 0.13 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.907 0.416 . . . . 0.0 112.084 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.76 94.95 0.31 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 66.77 96.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 0.0 110.12 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.88 147.82 15.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.337 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.81 135.19 55.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.787 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -128.79 131.27 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.444 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.96 -42.08 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.286 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.5 t -153.14 96.79 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.228 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -90.23 77.2 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.679 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.67 -165.28 50.43 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.29 -35.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.678 0.275 . . . . 0.0 110.614 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -132.09 148.44 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.75 56.32 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.407 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -101.36 129.01 47.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.8 m -132.51 136.78 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.05 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.1 -160.45 1.64 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.85 -55.77 7.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.36 . . . . 0.0 111.099 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.85 -92.06 0.97 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.1 p -115.69 130.42 56.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.121 0.486 . . . . 0.0 110.507 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -161.63 129.96 4.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.629 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.1 p -109.93 141.59 42.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.672 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.43 ' C ' ' OG1' ' B' ' 71' ' ' THR . 61.7 p -92.59 161.92 30.86 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.56 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -88.54 108.16 0.52 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.889 2.393 . . . . 0.0 113.428 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -58.81 159.02 7.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.635 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.41 -97.6 1.49 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.8 42.73 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.213 0.53 . . . . 0.0 110.606 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.17 136.1 51.27 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.81 89.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.842 0.353 . . . . 0.0 110.189 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.4 m -101.24 104.56 15.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.11 0.481 . . . . 0.0 110.493 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.42 -144.96 12.32 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.09 71.83 0.52 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -53.61 134.09 41.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.535 0.207 . . . . 0.0 110.953 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.89 -47.35 0.57 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 172.48 131.37 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.949 0.404 . . . . 0.0 110.809 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.3 m -134.75 91.83 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.61 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -54.54 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.591 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 p -163.74 -177.14 4.99 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.134 -0.626 . . . . 0.0 112.021 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -164.45 148.4 9.41 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.773 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.65 130.43 52.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.745 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.09 161.55 8.61 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.936 0.398 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.9 p -162.81 -174.44 3.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 58.09 72.47 0.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.742 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.64 52.56 0.57 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.48 170.82 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.597 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.52 158.81 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.37 178.59 7.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.451 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.0 t -138.76 140.52 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.592 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.562 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -108.95 111.32 22.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.574 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.3 t -150.68 100.35 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.42 178.42 16.37 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -112.4 128.52 56.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.16 -170.29 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.559 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.89 -163.04 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.687 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 82.2 p -71.25 160.95 31.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.008 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.16 153.54 45.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.673 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.18 163.23 38.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.466 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.41 -53.29 1.81 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.574 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 70.8 m -133.59 135.72 44.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.959 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 104.88 78.4 1.22 Allowed Glycine 0 C--O 1.222 -0.616 0 C-N-CA 120.321 -0.942 . . . . 0.0 111.965 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' B' ' 49' ' ' GLY . 66.3 m-85 29.96 68.9 0.09 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.0 95.02 0.33 Allowed Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.91 96.37 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.884 0.374 . . . . 0.0 110.09 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.81 147.73 15.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.328 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -120.75 135.25 55.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.88 131.28 47.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.408 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.99 -42.07 5.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.94 0.4 . . . . 0.0 110.265 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.1 96.7 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.31 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -90.15 77.21 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.766 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.72 -165.13 50.72 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.42 -35.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 110.523 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 43.5 t -131.87 148.51 52.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.543 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.62 56.34 5.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.48 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.45 128.88 47.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.559 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 50.9 m -132.3 136.93 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.2 -160.31 1.66 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -55.73 7.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.697 0.284 . . . . 0.0 111.022 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.03 -92.41 0.99 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -115.43 130.87 57.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.37 . . . . 0.0 110.496 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.84 129.9 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.568 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 23.7 p -109.89 141.54 42.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.534 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.446 ' C ' ' OG1' ' C' ' 71' ' ' THR . 53.1 p -93.0 162.81 27.59 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.467 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -89.01 106.75 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 123.22 2.613 . . . . 0.0 113.892 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.43 158.89 5.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.792 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.65 -97.55 1.47 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.21 41.35 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.401 . . . . 0.0 110.658 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.96 136.28 51.0 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.75 89.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 110.218 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 66.1 m -101.06 104.37 15.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.3 -144.03 11.81 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.8 71.85 0.51 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -53.66 134.36 41.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.813 0.339 . . . . 0.0 110.938 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.81 -47.18 0.58 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.47 131.38 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 73.0 m -134.73 91.84 2.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.632 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.41 -87.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 72.6 p -163.4 -176.12 4.58 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.885 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.46 148.22 7.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.49 130.55 52.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.795 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.21 161.59 8.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.873 0.368 . . . . 0.0 111.179 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 87.8 p -162.95 -174.64 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.736 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 57.77 72.37 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.055 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.85 52.2 0.58 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.35 171.12 9.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.632 0.254 . . . . 0.0 110.503 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.76 158.74 9.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.46 178.46 7.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.488 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -138.55 140.58 39.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -108.99 111.31 22.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.536 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -150.66 100.4 2.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.617 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.45 178.36 16.37 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -112.4 128.52 56.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.311 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.05 -170.17 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.62 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -149.02 -163.03 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.74 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.17 160.89 32.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.991 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -141.08 153.59 45.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.658 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.13 163.13 39.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.36 -53.29 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.627 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 71.7 m -133.69 135.76 44.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.935 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 104.84 78.51 1.23 Allowed Glycine 0 C--O 1.222 -0.644 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.922 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' C' ' 49' ' ' GLY . 66.1 m-85 29.79 69.06 0.09 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.01 94.98 0.33 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.84 96.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.921 0.391 . . . . 0.0 110.064 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -160.93 147.68 15.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.315 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -120.78 135.24 55.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.743 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -128.89 131.26 47.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.359 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -103.0 -42.04 5.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.25 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -153.08 96.65 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.288 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.13 77.21 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.767 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.79 -165.02 50.97 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -142.52 -35.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.596 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -131.96 148.56 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.513 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 56.61 56.4 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.459 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -101.46 129.02 47.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.497 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 51.2 m -132.44 136.93 47.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.26 -160.37 1.7 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.99 -55.82 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.637 0.256 . . . . 0.0 110.935 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.01 -92.32 0.98 Allowed Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.45 130.93 57.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.888 0.375 . . . . 0.0 110.468 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.83 4.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.555 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 23.9 p -109.88 141.62 42.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.577 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' THR . . . . . 0.447 ' C ' ' OG1' ' D' ' 71' ' ' THR . 50.2 p -93.16 163.05 26.59 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.376 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -89.14 106.62 0.42 Allowed 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 123.187 2.591 . . . . 0.0 114.003 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.27 158.97 4.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.76 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.63 -97.45 1.45 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.32 41.12 3.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 110.626 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.65 136.27 50.9 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.69 89.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.93 0.395 . . . . 0.0 110.191 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 66.9 m -101.23 104.58 15.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.44 -144.12 11.78 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.9 71.83 0.51 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -53.71 134.49 41.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.72 -47.14 0.58 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.49 131.44 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.894 0.378 . . . . 0.0 110.824 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -134.77 91.84 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.576 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -54.43 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.587 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 71.8 p -163.25 -175.9 4.52 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.97 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.63 148.27 7.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.57 130.51 52.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.787 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.17 161.58 8.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 87.5 p -162.96 -174.7 4.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.654 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 57.8 72.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.185 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.81 52.21 0.58 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.31 171.22 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.662 0.268 . . . . 0.0 110.531 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.88 158.7 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.41 178.45 7.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.542 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 48.0 t -138.6 140.59 39.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.489 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.601 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -108.98 111.28 22.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.555 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 45.5 t -150.7 100.3 2.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.36 178.42 16.37 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -112.44 128.53 56.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.733 0.302 . . . . 0.0 110.506 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.14 -170.21 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.587 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.94 -163.07 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.642 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 82.5 p -71.23 160.97 31.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -141.15 153.56 45.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.701 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -150.14 163.19 38.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.41 -53.46 1.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.527 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 71.0 m -133.45 135.76 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.055 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 104.81 78.59 1.24 Allowed Glycine 0 C--O 1.221 -0.676 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.918 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' D' ' 49' ' ' GLY . 65.7 m-85 29.83 68.99 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.16 95.08 0.34 Allowed Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 66.87 96.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.828 0.347 . . . . 0.0 110.101 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 33.4 t -160.88 147.69 15.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.303 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 39.7 t -120.72 135.27 55.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.778 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.87 131.24 47.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.374 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.99 -42.01 5.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.325 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.07 96.66 2.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.339 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.13 77.1 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.722 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.82 -164.95 51.1 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.53 -35.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.613 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 43.6 t -131.86 148.48 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.633 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.73 56.3 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.383 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.45 128.96 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.511 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 49.6 m -132.64 136.77 46.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.02 -160.37 1.58 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.08 -55.47 8.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.665 0.269 . . . . 0.0 110.981 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.73 -92.26 0.99 Allowed Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -115.43 130.7 56.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.771 0.32 . . . . 0.0 110.58 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.75 129.9 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 24.0 p -109.95 141.64 42.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.517 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 71' ' ' THR . . . . . 0.447 ' OG1' ' C ' ' C' ' 71' ' ' THR . 50.1 p -93.11 163.01 26.82 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -89.1 106.68 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 123.211 2.607 . . . . 0.0 114.04 -176.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.31 158.99 4.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.65 -97.47 1.45 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.28 41.04 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.714 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.62 136.36 50.81 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.77 89.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 0.0 110.109 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 63.9 m -100.9 104.41 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.43 -144.34 11.93 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.98 71.89 0.51 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -53.78 134.52 42.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.67 -47.07 0.58 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.45 131.44 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 72.8 m -134.75 91.88 2.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.623 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -54.51 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.603 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 69.6 p -163.21 -176.06 4.62 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.992 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.59 148.17 7.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.608 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.52 130.5 52.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.772 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.18 161.55 8.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.04 0.447 . . . . 0.0 111.078 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 88.0 p -162.94 -174.5 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.655 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 57.47 72.75 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.16 52.31 0.57 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.42 171.2 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.502 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.79 158.76 9.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.84 0.353 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.4 178.43 7.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.5 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.54 140.57 39.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.629 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -108.98 111.06 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.505 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 45.8 t -150.46 99.93 2.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.18 178.48 16.36 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -112.53 128.56 56.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.472 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.16 -170.29 2.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.87 -163.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.715 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 82.3 p -71.24 160.61 32.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -141.03 153.66 45.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.634 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -149.94 163.09 39.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.625 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.2 -50.55 1.79 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 119.311 -0.956 . . . . 0.0 112.643 178.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 66.8 m -131.06 134.05 46.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 119.257 -0.401 . . . . 0.0 112.025 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 107.93 72.14 0.76 Allowed Glycine 0 C--O 1.216 -1.019 0 C-N-CA 117.921 -2.085 . . . . 0.0 113.209 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' E' ' 49' ' ' GLY . 70.5 m-85 29.0 74.77 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.406 0.622 . . . . 0.0 110.64 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.35 92.79 0.42 Allowed Glycine 0 C--N 1.323 -0.145 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 67.88 96.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.04 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 33.4 t -160.83 147.81 15.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.66 135.47 55.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.606 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -128.92 131.41 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.531 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 3.2 m -103.0 -42.08 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.392 . . . . 0.0 110.223 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 46.5 t -153.14 96.74 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.255 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -90.22 77.11 6.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.762 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.79 -165.1 50.89 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.39 -35.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.598 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 43.3 t -131.9 148.55 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.31 56.88 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.426 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.81 129.2 47.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 49.9 m -132.58 136.77 46.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.43 -161.97 1.64 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -56.36 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.62 0.247 . . . . 0.0 110.967 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.35 -92.25 0.96 Allowed Glycine 0 N--CA 1.464 0.565 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -115.48 130.63 56.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.786 0.327 . . . . 0.0 110.476 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.64 130.44 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.439 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 22.2 p -110.27 141.85 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.034 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 71' ' ' THR . . . . . 0.447 ' OG1' ' C ' ' D' ' 71' ' ' THR . 56.2 p -92.54 163.14 27.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 O-C-N 125.529 1.768 . . . . 0.0 110.874 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -89.73 108.53 0.41 Allowed 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.516 2.144 . . . . 0.0 113.669 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -58.17 158.8 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.712 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.23 -96.02 1.3 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.77 41.31 3.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.807 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.86 136.41 50.85 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.39 90.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.948 0.404 . . . . 0.0 110.267 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 70.1 m -101.7 104.75 15.58 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.425 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.53 -144.23 11.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.36 72.82 0.37 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -54.56 134.42 46.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.966 0.412 . . . . 0.0 110.779 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.75 -44.54 0.65 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 169.76 131.63 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.077 0.465 . . . . 0.0 110.643 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -134.81 91.61 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.535 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -54.65 -86.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.628 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 70.0 p -163.24 -176.47 4.82 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 121.803 0.811 . . . . 0.0 112.077 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.06 148.66 8.53 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.684 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.55 130.17 51.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.07 161.05 8.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.934 0.397 . . . . 0.0 111.263 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 87.1 p -162.6 -174.45 3.99 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.8 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 57.47 72.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.472 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.2 52.86 0.56 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.71 170.95 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.606 0.241 . . . . 0.0 110.433 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.56 158.54 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 85.0 p -163.94 179.11 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.596 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.77 140.72 38.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.594 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -108.94 111.27 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 44.9 t -150.68 100.23 2.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.613 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.2 178.44 16.37 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -112.39 128.7 56.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.34 . . . . 0.0 110.47 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.28 -170.29 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.545 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.85 -163.01 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.745 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 82.5 p -71.29 161.02 31.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.946 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 13.7 t -141.27 153.49 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -150.07 163.1 39.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.26 -53.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.576 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 71.5 m -133.54 135.84 44.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.99 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 104.71 78.93 1.27 Allowed Glycine 0 C--O 1.221 -0.675 0 C-N-CA 120.323 -0.941 . . . . 0.0 111.926 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' F' ' 49' ' ' GLY . 64.6 m-85 29.43 69.13 0.08 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.16 94.96 0.33 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.91 96.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 110.055 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.94 147.77 15.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.253 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 39.6 t -120.8 135.11 55.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.795 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.79 131.22 47.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.425 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.94 -42.05 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.287 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.17 96.83 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.262 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.3 77.2 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.7 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.75 -165.04 50.87 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.45 -35.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.601 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.85 148.54 52.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.66 56.33 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -101.41 129.0 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 51.1 m -132.39 137.12 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.37 -160.26 1.73 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -55.92 7.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 0.0 110.966 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.14 -92.38 0.98 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.4 131.05 57.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.903 0.382 . . . . 0.0 110.366 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.99 129.8 4.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 24.0 p -109.9 141.56 42.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.515 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 71' ' ' THR . . . . . 0.447 ' OG1' ' C ' ' E' ' 71' ' ' THR . 50.0 p -93.18 163.08 26.43 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.403 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -89.2 106.6 0.42 Allowed 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 123.121 2.547 . . . . 0.0 113.999 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.23 159.05 4.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.759 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.48 -97.65 1.49 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.72 40.83 3.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.704 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.61 136.28 50.88 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.65 89.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.191 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 68.8 m -101.11 104.47 15.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.32 -144.13 11.86 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 71.84 0.51 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.71 134.49 41.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.72 -47.03 0.58 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.33 131.37 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.853 0.359 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.75 91.91 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.602 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.53 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.582 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 70.9 p -163.25 -176.05 4.59 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.01 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -165.55 148.24 7.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.528 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.47 130.47 52.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.2 161.55 8.42 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 87.4 p -162.91 -174.63 3.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.702 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 57.91 71.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.334 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.58 52.31 0.58 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.38 171.13 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.64 0.257 . . . . 0.0 110.437 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.79 158.72 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 84.6 p -164.45 178.47 7.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.56 140.6 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.499 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.57 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -109.0 111.36 22.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.496 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -150.71 100.25 2.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.618 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.3 178.38 16.37 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -112.38 128.57 56.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.719 0.295 . . . . 0.0 110.477 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.15 -170.25 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.537 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.95 -163.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.727 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.27 160.95 31.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.009 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.09 153.52 45.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.613 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -150.12 163.17 38.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.578 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.36 -53.46 1.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.615 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 71.5 m -133.55 135.87 44.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.918 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 104.73 78.59 1.24 Allowed Glycine 0 C--O 1.221 -0.665 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.958 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' G' ' 49' ' ' GLY . 65.1 m-85 29.78 69.05 0.09 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.1 95.08 0.34 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 66.86 96.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.073 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.89 147.76 15.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.286 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -120.8 135.08 55.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.758 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.71 131.34 47.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.445 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -103.0 -42.05 5.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.303 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -153.15 96.81 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.265 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -90.17 77.17 6.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.69 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.73 -165.06 50.82 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.41 -35.55 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 110.587 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.88 148.5 52.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.589 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.7 56.33 5.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.404 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.4 128.96 47.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.599 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 50.6 m -132.45 136.91 47.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.15 -160.31 1.63 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.09 -55.78 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.974 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.06 -92.4 0.99 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.36 130.82 57.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.867 0.365 . . . . 0.0 110.407 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.86 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.633 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 23.8 p -109.85 141.64 42.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.552 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 71' ' ' THR . . . . . 0.444 ' OG1' ' C ' ' F' ' 71' ' ' THR . 51.1 p -93.16 163.08 26.44 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -89.12 106.46 0.42 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 123.192 2.594 . . . . 0.0 113.982 -176.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.09 159.02 4.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.56 -97.48 1.46 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.27 41.0 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.994 0.426 . . . . 0.0 110.698 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.63 136.32 50.85 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.74 89.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.974 0.416 . . . . 0.0 110.26 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 68.1 m -101.03 104.35 15.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.634 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.2 -144.19 11.96 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.92 71.76 0.52 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.62 134.51 41.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.904 0.383 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.7 -47.21 0.58 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.46 131.37 0.02 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 72.5 m -134.71 91.82 2.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.714 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.5 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 72.6 p -163.28 -175.96 4.54 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.92 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.64 148.17 7.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.567 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.48 130.6 52.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.24 161.57 8.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.931 0.396 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 87.3 p -162.94 -174.68 4.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.649 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 57.8 72.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.8 52.21 0.58 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.37 171.21 9.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.657 0.265 . . . . 0.0 110.477 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.83 158.73 9.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 111.054 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 84.5 p -164.44 178.49 7.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.498 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -138.59 140.62 39.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.446 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.61 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -108.92 111.34 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 45.3 t -150.67 100.31 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.633 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.35 178.53 16.36 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -112.49 128.47 56.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.06 -170.26 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.553 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.88 -163.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.749 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 82.1 p -71.25 160.94 31.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.057 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.13 153.52 45.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.05 163.18 38.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.564 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.34 -53.49 1.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.586 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 71.2 m -133.44 135.76 44.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.971 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 104.87 78.62 1.24 Allowed Glycine 0 C--O 1.223 -0.571 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.933 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' H' ' 49' ' ' GLY . 65.7 m-85 29.79 68.91 0.09 Allowed 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.01 95.08 0.33 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.336 -1.105 . . . . 0.0 110.336 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 66.87 96.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 0.0 110.143 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 33.6 t -160.86 147.82 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.263 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -120.85 135.2 55.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.765 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.74 131.25 47.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.486 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 3.2 m -102.92 -42.02 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -153.24 96.75 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.282 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.19 77.06 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.729 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.76 -165.1 50.83 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.42 -35.51 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 110.562 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -131.94 148.49 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.537 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.71 56.25 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.474 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.39 128.93 47.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.628 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 50.3 m -132.4 137.03 47.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.25 -160.26 1.67 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.12 -55.76 7.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.655 0.264 . . . . 0.0 111.0 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.02 -92.41 0.99 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -115.37 130.95 57.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.804 0.335 . . . . 0.0 110.415 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.87 4.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.569 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 24.1 p -110.02 141.51 42.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.486 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 71' ' ' THR . . . . . 0.442 ' OG1' ' C ' ' G' ' 71' ' ' THR . 49.8 p -93.12 163.08 26.53 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -88.98 106.45 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 123.205 2.603 . . . . 0.0 114.073 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.12 159.07 4.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.792 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.6 -97.57 1.47 Allowed Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.96 40.71 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.733 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.43 136.27 50.82 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.82 89.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.912 0.387 . . . . 0.0 110.107 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 68.1 m -101.01 104.45 15.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.604 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.29 -144.16 11.89 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.96 71.96 0.5 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.86 134.5 42.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.964 0.411 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.77 -47.14 0.58 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 172.44 131.46 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.74 91.89 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.587 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -54.56 -87.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.559 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 72.8 p -163.22 -175.9 4.53 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.907 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.71 148.18 7.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.39 130.53 52.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.31 161.56 8.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.9 0.381 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 87.4 p -162.9 -174.66 4.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.712 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 57.77 72.21 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.182 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.85 52.08 0.58 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.27 171.24 9.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.681 0.277 . . . . 0.0 110.479 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.8 158.81 9.23 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.019 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.51 178.43 7.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 47.8 t -138.55 140.66 39.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.456 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.569 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -108.87 111.31 22.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.631 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 45.2 t -150.67 100.44 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.595 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.44 178.47 16.36 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -112.43 128.68 56.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.682 0.277 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.17 -170.27 2.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.554 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.82 -163.09 1.7 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.712 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.17 161.11 31.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -141.41 153.28 44.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.696 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -150.27 162.27 40.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.596 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.76 -54.03 1.86 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.536 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 72.2 m -132.84 135.89 45.91 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.033 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 104.99 78.55 1.23 Allowed Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.851 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' I' ' 49' ' ' GLY . 64.8 m-85 29.77 70.31 0.07 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.12 95.15 0.41 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.81 95.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.39 . . . . 0.0 110.137 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.15 148.0 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.357 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.83 135.14 55.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.763 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -128.78 131.27 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.478 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 3.3 m -102.98 -42.02 5.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -153.24 96.83 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.276 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.22 77.15 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.659 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.63 -165.08 50.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.36 -35.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.637 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.84 148.51 52.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 56.59 56.38 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.505 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.46 129.0 47.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.565 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 49.5 m -132.39 137.07 47.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.44 -160.15 1.74 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.26 -55.66 8.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.516 0.198 . . . . 0.0 110.942 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.04 -92.46 0.99 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 30.8 p -115.21 131.14 57.02 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.402 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -162.01 129.94 4.07 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.446 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 26.1 p -110.21 140.97 43.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.449 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 71' ' ' THR . . . . . 0.43 ' OG1' ' C ' ' H' ' 71' ' ' THR . 46.6 p -91.82 164.77 22.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -89.98 107.02 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 123.158 2.572 . . . . 0.0 113.989 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -57.6 158.85 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.827 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.26 -97.35 1.39 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.66 39.29 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.72 0.295 . . . . 0.0 110.745 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.15 136.51 48.36 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.66 89.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 110.167 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 67.3 m -100.84 104.35 15.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.739 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.24 -143.91 11.77 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.89 72.01 0.49 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -53.9 134.95 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.043 0.449 . . . . 0.0 110.739 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.59 -46.91 0.59 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.37 131.46 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.77 91.99 2.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.544 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -54.33 -86.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.645 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 76.1 p -163.46 -175.97 4.48 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.213 -0.595 . . . . 0.0 111.532 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.69 148.44 7.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.58 130.69 52.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.733 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.39 161.46 8.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.923 0.392 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 87.4 p -162.9 -174.65 4.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.567 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 57.49 71.85 0.55 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.332 0.587 . . . . 0.0 111.455 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.77 51.71 0.59 Allowed Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.36 171.25 9.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.627 0.251 . . . . 0.0 110.412 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.75 158.84 9.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.05 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 85.0 p -164.45 178.41 7.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.483 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 47.5 t -138.62 140.65 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.425 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.551 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.85 84.88 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.1 p -162.32 145.48 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.559 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.73 121.18 21.42 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -138.48 158.67 43.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.574 0.226 . . . . 0.0 110.411 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.9 p -159.65 158.43 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.543 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -158.64 156.73 30.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.714 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.9 m -129.33 146.0 51.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -122.47 126.59 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.638 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -140.65 142.86 34.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.093 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.22 -51.38 1.76 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.544 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.6 t -136.42 140.95 43.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.148 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.87 74.55 1.22 Allowed Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.519 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 37.02 70.42 0.17 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.29 95.12 0.5 Allowed Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 67.48 88.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.42 147.53 15.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.649 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.36 146.07 51.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.415 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.81 40.5 20.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.46 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.28 -37.53 77.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.631 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -132.04 144.76 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.31 54.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.28 149.3 42.12 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -109.57 17.01 21.8 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.054 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -61.13 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.746 0.308 . . . . 0.0 110.577 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.84 126.91 53.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -133.39 105.19 6.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.4 m -114.08 130.73 56.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.636 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.04 -161.22 0.9 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.34 -58.77 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.834 0.35 . . . . 0.0 110.826 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.4 -99.57 1.25 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.64 121.38 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.026 0.441 . . . . 0.0 110.772 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.48 133.99 1.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.791 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.0 t -105.68 124.94 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.62 170.08 17.98 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.065 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.22 105.58 0.14 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.253 1.969 . . . . 0.0 112.533 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -63.59 111.84 2.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.05 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.46 121.05 0.34 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.1 t80 58.64 83.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.143 0.497 . . . . 0.0 111.092 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.99 -89.96 0.08 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -141.53 161.09 38.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 111.196 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.19 104.88 3.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.34 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.61 84.83 0.38 Allowed Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.28 -128.5 2.39 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -89.72 51.6 2.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.77 0.319 . . . . 0.0 110.732 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.99 -132.25 48.96 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m 41.02 51.05 3.25 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.153 0.502 . . . . 0.0 110.445 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 p -111.65 83.39 1.77 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.841 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.11 124.06 26.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.675 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.65 -175.01 4.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.942 0.401 . . . . 0.0 111.027 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -154.19 140.42 18.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.314 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.27 -173.48 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.929 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.3 p -151.33 161.28 42.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.33 113.93 15.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.678 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -129.16 100.43 5.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.049 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.79 53.25 0.56 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.682 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.65 114.47 26.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.612 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.92 133.59 22.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.81 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -125.06 127.3 46.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.481 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.19 -165.73 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.688 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.491 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.91 84.87 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.574 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -162.51 145.07 11.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.643 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.28 121.14 21.99 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -138.41 158.76 43.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.709 0.29 . . . . 0.0 110.457 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 97.1 p -159.77 158.51 31.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.666 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -158.74 156.76 30.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.29 145.96 51.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.513 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -122.59 126.28 47.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.695 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.27 142.5 35.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.253 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.39 -51.4 1.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.423 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -136.17 141.48 44.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.14 76.35 1.32 Allowed Glycine 0 C--O 1.223 -0.544 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.181 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.24 70.99 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.79 95.17 0.54 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 67.6 88.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.45 147.48 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.71 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.35 146.06 51.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 49.73 40.54 20.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.522 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.32 -37.46 77.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.608 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.0 m -132.09 144.85 51.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.48 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -146.41 54.31 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.25 149.21 42.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -109.59 17.18 21.61 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.798 0.332 . . . . 0.0 110.574 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.8 126.95 53.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.38 105.15 6.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -113.95 130.9 56.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.13 -161.1 0.9 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.57 -58.72 3.54 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.756 0.312 . . . . 0.0 110.819 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.55 -99.75 1.26 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.4 121.41 44.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.775 0.321 . . . . 0.0 110.765 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.54 133.15 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.826 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.77 124.98 50.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.711 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.64 169.9 18.82 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.044 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 52.3 Cg_exo -54.23 103.67 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.432 2.088 . . . . 0.0 112.809 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.48 112.24 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.296 0.373 . . . . 0.0 110.455 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.4 121.06 0.33 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.84 83.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.411 . . . . 0.0 110.969 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.97 -89.89 0.08 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 55.2 m -141.28 161.32 38.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 111.19 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.26 104.16 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.524 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.06 85.01 0.38 Allowed Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.46 -128.52 2.38 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -89.86 52.31 2.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.921 0.391 . . . . 0.0 110.644 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.35 -132.22 50.08 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.87 51.24 3.15 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.303 0.573 . . . . 0.0 110.555 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.58 83.42 1.78 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.751 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.19 123.36 25.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.773 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.9 -175.0 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -154.09 140.44 18.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.375 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.23 -173.44 0.92 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.057 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 94.9 p -151.4 161.29 42.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.751 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.96 15.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.694 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -129.5 100.64 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.04 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.62 53.61 0.55 Allowed Glycine 0 CA--C 1.526 0.75 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.681 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.76 114.43 26.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.56 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.94 133.57 22.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 70.2 m -124.99 127.3 46.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.543 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.19 -165.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.711 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 58.8 t80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.447 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.81 84.8 3.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.664 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 79.1 p -162.49 144.94 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.713 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.2 121.2 22.28 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -138.5 158.76 43.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.408 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 97.8 p -159.75 158.47 31.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.692 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -158.74 156.73 30.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.656 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.21 145.94 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -122.55 126.21 47.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.727 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.23 142.37 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.288 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.26 -51.35 1.76 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.542 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -136.27 141.48 43.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 111.123 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.06 76.53 1.33 Allowed Glycine 0 C--O 1.224 -0.515 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.262 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 34.98 71.09 0.12 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.86 95.15 0.54 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 67.64 88.42 0.11 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.849 0.357 . . . . 0.0 110.045 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.44 147.37 15.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.707 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.26 146.18 51.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.472 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.7 40.42 19.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 89.4 p -59.13 -37.57 77.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.628 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.9 m -132.04 144.88 51.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.453 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -146.34 54.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.655 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.17 149.23 42.19 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.48 17.08 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.59 -61.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.502 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.73 126.97 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.539 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.46 105.16 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 94.6 m -113.96 130.81 56.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.02 -161.17 0.89 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.51 -58.8 3.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.694 0.283 . . . . 0.0 110.73 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.58 -99.7 1.26 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.43 121.42 44.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.778 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -168.58 133.12 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.857 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.7 125.04 50.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.729 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.69 169.92 18.75 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.056 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . 0.406 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 52.1 Cg_exo -54.24 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.476 2.118 . . . . 0.0 112.78 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.31 112.16 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.818 0.342 . . . . 0.0 110.497 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.52 121.05 0.34 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.72 83.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.012 0.434 . . . . 0.0 110.897 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.02 -89.8 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 54.3 m -141.3 161.37 38.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.161 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.31 104.18 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.55 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.04 85.0 0.38 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.5 -128.5 2.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -89.86 52.44 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.397 . . . . 0.0 110.647 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.38 -132.35 50.07 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.88 51.3 3.17 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.268 0.556 . . . . 0.0 110.556 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.65 83.52 1.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.747 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.28 123.27 25.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.81 -174.87 4.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 110.991 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -154.17 140.38 18.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.45 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.809 -0.357 . . . . 0.0 111.09 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -151.35 161.28 42.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.702 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.88 15.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.667 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -129.43 100.81 5.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.092 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.47 53.64 0.56 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.628 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.73 114.47 26.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.78 0.324 . . . . 0.0 110.547 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.98 133.59 22.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.806 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 70.7 m -125.08 127.39 46.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.454 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.0 -165.7 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.721 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.53 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.78 84.83 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.63 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 79.3 p -162.5 144.85 10.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.747 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.08 121.1 22.19 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -138.49 158.75 43.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.672 0.272 . . . . 0.0 110.562 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 96.2 p -159.73 158.43 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.728 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.68 156.75 30.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.756 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -129.36 146.05 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.0 m -122.67 126.12 46.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.811 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.18 142.51 35.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.204 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.4 -51.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.34 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -135.97 141.61 44.45 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.278 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.95 76.52 1.33 Allowed Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.327 -0.94 . . . . 0.0 112.237 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.03 71.09 0.12 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.83 95.14 0.54 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 67.57 88.42 0.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.827 0.346 . . . . 0.0 110.128 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 47.2 t -160.45 147.4 15.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.715 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 89.5 p -132.31 146.06 51.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.78 40.47 20.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.559 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.31 -37.38 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.656 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.4 m -132.11 144.71 50.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.524 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.25 54.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.16 149.23 42.21 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.55 17.06 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.54 -61.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.815 0.34 . . . . 0.0 110.539 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.78 126.91 53.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.4 105.18 6.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -113.98 130.78 56.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.12 -161.16 0.91 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -58.77 3.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.668 0.271 . . . . 0.0 110.704 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.46 -99.69 1.26 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.4 121.41 44.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.779 0.324 . . . . 0.0 110.784 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.54 133.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.864 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.72 125.08 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.751 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.81 169.9 18.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.075 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 52.4 Cg_exo -54.17 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.487 2.125 . . . . 0.0 112.817 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.29 112.28 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.306 0.379 . . . . 0.0 110.474 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.36 121.02 0.33 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.78 83.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.99 0.424 . . . . 0.0 110.974 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.02 -89.83 0.08 OUTLIER Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -141.34 161.42 37.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.899 0.38 . . . . 0.0 111.152 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.34 104.26 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.8 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.18 85.15 0.39 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.58 -128.51 2.36 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.99 52.58 2.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.928 0.394 . . . . 0.0 110.64 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.24 -132.25 50.28 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.84 51.3 3.14 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.292 0.568 . . . . 0.0 110.545 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.62 83.45 1.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.721 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.21 123.32 25.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.774 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.84 -175.03 4.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 111.027 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -153.95 140.4 18.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.377 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.47 0.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.019 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 94.8 p -151.33 161.29 42.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.745 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.82 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.687 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -129.55 100.79 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.049 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.52 53.69 0.56 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.635 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.71 114.43 26.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.74 0.305 . . . . 0.0 110.528 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.97 133.56 22.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.745 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -125.04 127.41 46.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.08 -165.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.448 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -95.42 84.99 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.066 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 79.2 p -162.84 144.43 10.12 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.718 0.294 . . . . 0.0 110.519 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.85 120.9 21.88 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -138.39 158.67 43.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.741 0.305 . . . . 0.0 110.445 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 96.8 p -159.66 158.45 31.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.685 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.69 156.68 30.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.68 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 75.3 m -129.2 145.96 51.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.561 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -122.56 126.35 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.694 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -139.92 142.62 36.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.18 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.02 -49.58 1.71 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 119.173 -1.011 . . . . 0.0 112.511 177.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -131.58 139.76 49.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.02 71.71 1.04 Allowed Glycine 0 C--O 1.217 -0.927 0 C-N-CA 118.084 -2.007 . . . . 0.0 112.885 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 33.45 76.01 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.455 0.645 . . . . 0.0 111.03 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.39 92.95 0.6 Allowed Glycine 0 CA--C 1.518 0.222 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 68.38 88.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.946 0.403 . . . . 0.0 110.004 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.48 147.42 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.729 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.26 146.19 51.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.42 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 49.77 40.5 20.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.447 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.32 -37.49 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.603 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -132.02 144.78 51.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.571 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -146.28 54.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.12 149.24 42.3 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.57 17.1 21.71 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.58 -61.18 0.09 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.763 0.316 . . . . 0.0 110.586 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.85 126.61 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.1 104.82 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.744 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -113.83 130.75 56.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.61 -162.15 0.9 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -59.06 3.05 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.664 0.269 . . . . 0.0 110.74 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.64 -99.26 1.2 Allowed Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.66 121.08 43.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.749 0.309 . . . . 0.0 110.684 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -168.21 134.41 1.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.319 0.581 . . . . 0.0 110.686 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -106.15 126.75 52.6 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.125 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.08 169.73 19.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 O-C-N 124.604 1.19 . . . . 0.0 109.778 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . 0.421 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 50.8 Cg_exo -55.57 107.9 0.28 Allowed 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.222 1.281 . . . . 0.0 111.778 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -64.19 114.09 3.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.912 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.85 119.95 0.26 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 4.0 t80 60.53 81.69 0.18 Allowed 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.328 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.4 -89.47 0.08 OUTLIER Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 56.5 m -141.45 161.28 38.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.079 0.466 . . . . 0.0 111.0 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.71 104.07 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.131 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.25 84.91 0.38 Allowed Glycine 0 CA--C 1.547 2.062 0 C-N-CA 120.379 -0.915 . . . . 0.0 111.726 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.53 -128.32 2.35 Favored Glycine 0 C--N 1.355 1.608 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -89.96 51.93 2.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.93 0.395 . . . . 0.0 111.27 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.3 -131.69 49.9 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 39.98 52.26 2.63 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 123.68 0.282 . . . . 0.0 110.464 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 3.7 p -112.42 83.14 1.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.117 0.885 . . . . 0.0 110.26 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.19 122.77 24.48 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-O 121.455 0.645 . . . . 0.0 110.811 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.1 -176.34 5.18 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.933 -0.48 . . . . 0.0 110.887 -178.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -153.36 140.37 19.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.32 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.37 0.91 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.003 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -150.89 161.77 42.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.61 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -129.2 113.65 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.867 0.73 . . . . 0.0 111.224 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -128.63 99.85 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.367 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.02 53.01 0.55 Allowed Glycine 0 CA--C 1.525 0.718 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.726 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.31 114.15 25.8 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.805 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.83 133.76 22.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.85 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -124.93 127.28 46.81 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.316 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.3 -165.73 0.17 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.049 0.843 . . . . 0.0 110.563 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.459 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.97 84.84 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.591 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -162.49 144.89 10.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.618 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.15 121.18 22.3 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.474 -0.651 . . . . 0.0 111.474 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -138.42 158.69 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.696 0.284 . . . . 0.0 110.513 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 97.7 p -159.74 158.45 31.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.691 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.63 156.75 30.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.682 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.34 146.01 51.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -122.56 126.29 47.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.629 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -140.24 142.32 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.297 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.27 -51.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.439 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 26.8 t -136.02 141.6 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 111.189 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.88 76.85 1.34 Allowed Glycine 0 C--O 1.222 -0.599 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.123 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 34.66 71.25 0.11 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.87 95.11 0.54 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 67.61 88.31 0.11 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.848 0.356 . . . . 0.0 110.085 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.33 147.43 15.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.706 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.29 146.13 51.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 49.76 40.49 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.497 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.26 -37.51 77.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.638 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -132.01 144.76 51.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.521 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.3 54.25 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.614 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.05 149.19 42.34 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.48 17.0 21.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.575 0.226 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.737 0.303 . . . . 0.0 110.606 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -116.73 126.84 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.542 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.35 105.15 6.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -113.97 130.94 56.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.19 -161.12 0.93 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -58.83 3.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.735 0.303 . . . . 0.0 110.751 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.54 -99.72 1.26 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.38 121.56 45.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.705 0.288 . . . . 0.0 110.761 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.65 133.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.822 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.73 125.08 50.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.704 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.78 169.93 18.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.036 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 51.9 Cg_exo -54.17 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.51 2.14 . . . . 0.0 112.814 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.2 112.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.246 0.341 . . . . 0.0 110.526 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.46 121.3 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.85 83.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.89 0.08 OUTLIER Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 55.4 m -141.27 161.34 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 111.119 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.3 104.19 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.48 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.07 85.07 0.39 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.5 -128.58 2.38 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.87 52.44 2.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.923 0.392 . . . . 0.0 110.611 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 -132.27 50.13 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.86 51.32 3.15 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 121.239 0.542 . . . . 0.0 110.57 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 3.8 p -111.75 83.54 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.606 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.25 123.26 25.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.759 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.82 -174.94 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 111.094 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.8 t -154.03 140.31 18.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.345 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.17 -173.44 0.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 94.7 p -151.33 161.33 42.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.763 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.82 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.673 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.45 100.78 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.041 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.48 53.75 0.56 Allowed Glycine 0 CA--C 1.526 0.762 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.614 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.7 114.39 26.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.729 0.299 . . . . 0.0 110.564 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.98 133.53 22.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.795 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 70.4 m -124.98 127.42 47.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.04 -165.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.658 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.473 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.91 84.82 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.598 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -162.5 144.9 10.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.643 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.21 121.2 22.27 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -138.5 158.7 43.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.725 0.298 . . . . 0.0 110.435 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 96.5 p -159.74 158.47 31.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.709 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.68 156.78 30.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.718 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.28 145.98 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.525 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -122.53 126.21 47.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.686 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -140.26 142.46 35.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.22 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.41 -51.29 1.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.471 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 26.5 t -136.22 141.52 43.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.99 76.51 1.33 Allowed Glycine 0 C--O 1.222 -0.612 0 C-N-CA 120.329 -0.939 . . . . 0.0 112.172 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 35.16 71.07 0.12 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.89 95.16 0.54 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 67.58 88.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 47.1 t -160.41 147.42 15.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.702 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.29 146.15 51.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.78 40.45 20.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.25 -37.49 77.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -132.02 144.78 51.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.564 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.32 54.22 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.519 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.15 149.2 42.2 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -109.49 17.03 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.18 0.09 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.791 0.329 . . . . 0.0 110.573 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.72 126.91 53.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.569 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.39 105.17 6.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -113.97 130.92 56.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.23 -161.05 0.92 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.55 -58.8 3.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.62 0.248 . . . . 0.0 110.784 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.54 -99.69 1.26 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.45 121.43 44.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.726 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.59 133.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.828 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -104.79 125.09 50.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.71 169.9 18.84 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.047 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 52.0 Cg_exo -54.15 103.39 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.547 2.165 . . . . 0.0 112.776 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.24 112.24 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.831 0.348 . . . . 0.0 110.547 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.56 121.0 0.35 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.73 83.72 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.391 . . . . 0.0 110.953 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.85 0.08 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 55.7 m -141.32 161.41 37.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.922 0.392 . . . . 0.0 111.093 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.32 104.09 3.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.508 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.08 85.17 0.39 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.54 -128.48 2.36 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.94 52.47 2.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 110.643 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 -132.27 50.13 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.81 51.37 3.12 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.282 0.563 . . . . 0.0 110.538 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 4.0 p -111.67 83.51 1.79 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.722 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.25 123.22 25.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.723 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.81 -174.94 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.07 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.2 t -154.06 140.32 18.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.324 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.1 -173.37 0.93 Allowed 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.043 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 95.4 p -151.37 161.32 42.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.7 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.25 113.93 15.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.67 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -129.49 100.79 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.45 53.67 0.56 Allowed Glycine 0 CA--C 1.526 0.777 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.677 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.71 114.43 26.41 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.597 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.97 133.56 22.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.747 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 70.5 m -125.02 127.41 46.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.461 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 5.5 t 58.13 -165.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 58.9 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.459 179.876 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.9 84.8 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.549 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 79.1 p -162.48 144.98 11.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.61 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.19 121.34 22.64 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -138.61 158.75 43.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.7 0.286 . . . . 0.0 110.461 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 95.6 p -159.78 158.47 31.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.684 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.72 156.74 30.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.695 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -129.26 145.98 51.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -122.58 126.17 47.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.721 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -140.19 142.41 35.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.294 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.29 -51.4 1.76 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.483 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -136.24 141.45 43.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.231 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.2 76.46 1.32 Allowed Glycine 0 C--O 1.224 -0.513 0 C-N-CA 120.276 -0.964 . . . . 0.0 112.232 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.04 71.05 0.12 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.77 95.17 0.54 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 67.54 88.37 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.851 0.358 . . . . 0.0 110.096 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.37 147.37 15.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.693 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 89.7 p -132.29 146.15 51.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.444 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 49.75 40.54 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.489 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.41 -37.38 77.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.591 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -132.07 144.76 50.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.521 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.32 54.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.18 149.25 42.2 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.56 17.06 21.75 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.53 -61.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 0.0 110.575 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.88 126.85 53.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.37 105.25 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -114.07 130.9 56.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.15 -160.99 0.89 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.63 -58.77 3.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.659 0.266 . . . . 0.0 110.779 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.55 -99.72 1.26 Allowed Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.532 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.44 121.43 44.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.686 0.279 . . . . 0.0 110.818 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -168.56 133.26 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.76 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -104.84 125.14 50.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.693 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.74 169.84 19.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.066 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 52.3 Cg_exo -54.21 103.41 0.09 OUTLIER 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.518 2.145 . . . . 0.0 112.754 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.32 112.25 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.909 0.385 . . . . 0.0 110.497 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.59 121.16 0.35 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.75 83.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.83 0.08 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 56.8 m -141.29 161.39 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 111.087 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.29 104.03 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.47 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.94 85.16 0.39 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.52 -128.55 2.37 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -90.04 52.66 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.57 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.19 -132.31 50.39 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.91 51.34 3.18 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.27 0.557 . . . . 0.0 110.545 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.71 83.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.709 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.24 123.26 25.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.72 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.85 -175.04 4.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 111.067 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -153.91 140.41 18.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.407 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.52 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.065 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -151.27 161.27 43.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.796 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.11 113.88 15.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.684 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.54 100.7 5.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.099 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.57 53.71 0.55 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.672 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.66 114.26 26.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.698 0.285 . . . . 0.0 110.617 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.9 133.66 22.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.768 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 70.6 m -125.13 127.39 46.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.432 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.11 -165.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.688 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 59.5 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.522 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.94 84.76 3.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 79.2 p -162.25 144.93 11.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.631 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.17 121.62 23.41 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -139.06 158.62 43.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.877 0.37 . . . . 0.0 110.408 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 94.7 p -159.65 158.6 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.754 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.9 156.71 30.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.638 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -129.17 145.94 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.601 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.6 m -122.79 126.01 46.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.061 0.458 . . . . 0.0 110.683 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -140.28 141.46 35.8 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.7 -51.98 1.81 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.424 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 27.3 t -135.51 141.86 45.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.232 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.99 76.47 1.33 Allowed Glycine 0 C--O 1.224 -0.505 0 C-N-CA 120.276 -0.964 . . . . 0.0 112.208 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 34.86 72.54 0.09 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.98 94.93 0.63 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 67.6 87.8 0.12 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.871 0.367 . . . . 0.0 110.162 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -159.78 147.54 16.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.731 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.39 146.18 51.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.447 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 49.68 40.66 20.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.39 -37.54 78.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.613 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 58.5 m -131.98 144.83 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.485 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -146.44 54.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.27 149.31 42.15 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -109.62 17.08 21.69 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.52 -61.21 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.832 0.349 . . . . 0.0 110.576 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.67 126.93 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.53 105.19 6.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.598 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -113.84 131.0 56.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.513 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.27 -160.95 0.92 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.74 -58.77 3.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.493 0.187 . . . . 0.0 110.675 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.6 -99.83 1.27 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.555 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.37 121.46 44.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.599 0.238 . . . . 0.0 110.646 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -168.62 133.02 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.659 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 29.6 t -104.45 125.8 50.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.603 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.41 169.92 18.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.827 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.32 103.39 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.631 2.221 . . . . 0.0 112.52 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.18 112.6 2.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.789 0.328 . . . . 0.0 110.575 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.43 121.15 0.34 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 59.0 83.73 0.12 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.618 0.247 . . . . 0.0 110.699 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.88 -89.62 0.08 OUTLIER Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 54.7 m -141.19 161.45 37.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.78 0.324 . . . . 0.0 111.071 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.27 103.39 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.648 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.42 85.44 0.4 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.78 -128.58 2.35 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -90.11 53.66 2.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.976 0.417 . . . . 0.0 110.468 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.05 -133.02 52.74 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 41.82 51.18 4.11 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.234 0.54 . . . . 0.0 110.517 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.8 83.53 1.8 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.654 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.11 123.07 25.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.688 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.79 -175.52 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 0.0 111.024 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -153.5 140.49 19.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.378 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.25 -173.62 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 95.7 p -151.12 161.32 42.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.07 113.8 15.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -129.79 100.94 5.67 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.091 0.472 . . . . 0.0 111.066 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.35 54.1 0.55 Allowed Glycine 0 CA--C 1.527 0.834 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.66 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.61 114.32 26.23 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.634 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -145.02 133.59 22.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.784 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 70.1 m -125.1 127.34 46.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.471 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.06 -165.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.685 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.531 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 52.0 86.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.7 t -141.58 134.72 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.587 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.55 130.97 10.42 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -127.83 127.18 43.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 110.605 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.2 t -147.7 145.97 29.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.56 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.91 -171.5 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.792 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.95 159.11 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -127.21 130.27 49.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.681 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -127.4 149.54 50.03 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.323 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.22 -52.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -134.95 132.16 38.09 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.592 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.38 74.89 0.79 Allowed Glycine 0 CA--C 1.527 0.807 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.061 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 29.13 69.99 0.07 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.164 0.567 . . . . 0.0 112.368 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.82 93.96 0.23 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 67.07 94.72 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.7 t -160.72 149.46 16.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.82 138.36 53.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -129.46 143.73 50.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -149.66 137.92 20.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.487 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -156.18 160.83 40.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.648 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -132.42 148.65 52.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.46 -151.97 48.9 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.04 139.7 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.564 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.8 116.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.66 118.78 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.467 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.73 100.34 11.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.658 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.6 m -115.14 128.65 56.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.416 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.13 -166.64 1.07 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -54.83 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 111.116 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.42 -105.89 1.34 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.6 p -108.36 107.76 18.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.148 0.499 . . . . 0.0 110.136 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -148.1 135.58 20.63 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.695 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.2 m -110.68 136.25 50.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.117 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.407 ' C ' ' OG1' ' B' ' 71' ' ' THR . 33.4 p -73.8 166.0 48.2 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.465 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.402 ' N ' ' OG1' ' B' ' 71' ' ' THR . 44.8 Cg_endo -88.6 105.49 0.46 Allowed 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.523 2.149 . . . . 0.0 113.671 -176.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.29 120.04 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.243 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.98 -87.81 0.27 Allowed Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -129.22 86.94 2.49 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.493 0.663 . . . . 0.0 110.621 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.34 104.63 2.99 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.245 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.76 122.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 111.124 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 85.6 m -110.38 110.28 21.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.86 90.51 0.61 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.74 123.38 0.69 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -93.79 -40.98 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.4 -67.82 1.14 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -148.39 112.82 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.22 84.72 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.345 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.9 118.6 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.354 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.0 p -145.46 167.1 23.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 111.17 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.4 t -139.13 129.7 25.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.011 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.15 173.08 16.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.901 0.381 . . . . 0.0 111.177 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.1 p -166.68 157.85 12.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -164.05 175.35 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.73 75.15 0.05 Allowed 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.38 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.19 49.95 0.13 Allowed Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -97.65 114.28 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.625 0.25 . . . . 0.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.97 128.57 38.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.27 119.32 28.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.285 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 66.14 -165.63 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.425 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 51.98 86.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -141.61 134.69 29.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.523 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.62 131.01 10.44 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -127.7 127.36 43.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.344 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 48.3 t -147.82 145.99 28.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.89 -171.49 2.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.675 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -70.97 159.21 35.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.4 m -127.33 130.18 49.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.686 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -127.11 149.2 50.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.49 -52.3 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.04 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.78 132.44 38.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.492 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 109.98 77.23 0.93 Allowed Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.714 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' B' ' 49' ' ' GLY . 69.5 m-85 26.24 70.77 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.06 94.01 0.24 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.19 94.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.83 0.348 . . . . 0.0 110.129 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 32.7 t -160.71 149.46 16.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.82 138.41 53.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -129.54 143.76 50.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.71 137.88 20.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.458 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 97.5 p -156.14 160.73 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.609 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -132.35 148.59 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.51 -152.04 48.91 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -68.06 139.7 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.615 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 12.5 p -179.73 116.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.587 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.61 118.78 21.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.494 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.81 100.45 11.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -115.03 128.74 56.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.42 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.33 -166.51 1.12 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.41 -54.83 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.646 0.26 . . . . 0.0 110.999 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.83 -106.39 1.36 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 44.9 p -108.05 107.65 18.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.768 0.318 . . . . 0.0 110.201 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -148.05 134.86 20.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.714 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 66.0 m -109.84 136.05 49.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.132 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.426 ' C ' ' OG1' ' C' ' 71' ' ' THR . 36.0 p -74.06 166.64 42.77 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.288 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.409 ' N ' ' OG1' ' C' ' 71' ' ' THR . 44.3 Cg_endo -89.03 103.4 0.39 Allowed 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.803 2.335 . . . . 0.0 114.329 -175.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.25 120.17 6.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.492 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.06 -87.69 0.27 Allowed Glycine 0 CA--C 1.527 0.844 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.0 86.75 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.186 0.517 . . . . 0.0 110.59 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.98 105.03 3.01 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.63 122.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 86.5 m -110.17 110.15 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.351 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.68 90.75 0.63 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.84 123.5 0.7 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -93.95 -41.44 9.59 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.28 -67.48 1.21 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 45.5 t -148.42 112.86 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.22 84.86 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.331 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -126.01 118.19 24.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.362 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 96.8 p -145.01 167.16 23.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.018 0.437 . . . . 0.0 111.198 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -139.01 129.66 26.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.033 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.07 173.16 16.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.869 0.366 . . . . 0.0 111.325 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.71 157.84 12.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.613 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.1 t -164.0 175.37 10.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.675 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.94 77.0 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.11 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.36 50.09 0.11 Allowed Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.387 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.74 114.15 26.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 0.0 110.663 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.95 128.65 38.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.821 0.343 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.34 28.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.243 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 66.18 -165.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.467 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 51.92 86.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.712 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 45.7 t -141.59 134.61 29.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.57 131.01 10.44 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -127.7 127.32 43.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.588 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 48.4 t -147.85 146.02 28.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.505 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.97 -171.48 2.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.683 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.99 159.13 35.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -127.17 130.08 49.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.68 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -127.05 149.2 50.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.526 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.48 -52.32 1.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.02 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.78 132.49 38.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.472 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 109.95 77.36 0.94 Allowed Glycine 0 C--O 1.222 -0.613 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.679 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' C' ' 49' ' ' GLY . 68.5 m-85 26.18 70.83 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.17 93.96 0.24 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.19 94.54 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.841 0.353 . . . . 0.0 110.144 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.72 149.44 16.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -125.85 138.44 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -129.56 143.78 50.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.75 137.87 20.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.395 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 97.7 p -156.14 160.82 40.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.42 148.63 52.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.529 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.46 -152.1 49.07 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.88 139.62 56.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 0.0 110.657 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 12.3 p -179.79 116.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.523 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.57 118.77 21.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -100.83 100.47 11.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -115.0 128.88 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.368 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.44 -166.48 1.15 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -54.79 19.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.612 0.244 . . . . 0.0 111.037 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.74 -106.31 1.36 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 45.0 p -108.07 107.61 18.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 110.204 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -148.0 135.03 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.572 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.91 135.94 49.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 71' ' ' THR . . . . . 0.426 ' OG1' ' C ' ' B' ' 71' ' ' THR . 36.7 p -74.05 166.68 42.42 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.26 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . 0.407 ' N ' ' OG1' ' D' ' 71' ' ' THR . 43.8 Cg_endo -89.08 103.2 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 122.705 2.27 . . . . 0.0 114.494 -175.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.05 120.2 6.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.537 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.08 -87.68 0.27 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.97 86.8 2.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.171 0.51 . . . . 0.0 110.583 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.06 105.15 3.02 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.55 122.24 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.842 0.353 . . . . 0.0 111.077 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m -110.29 110.26 21.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.333 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.59 90.75 0.63 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.82 123.46 0.69 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -93.91 -41.38 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.27 -67.5 1.2 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 45.3 t -148.45 112.96 5.32 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 84.73 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.366 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.91 118.16 24.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.376 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 96.6 p -144.96 167.24 23.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.12 129.74 25.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.993 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.12 173.11 16.91 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.307 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 97.8 p -166.76 157.7 12.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.646 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -163.94 175.18 10.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.621 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.85 77.34 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.161 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.52 50.17 0.11 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.75 114.17 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.676 0.274 . . . . 0.0 110.665 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.97 128.64 38.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.33 119.35 29.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.253 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 66.13 -165.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.625 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 22.1 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.452 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 51.91 86.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.701 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 45.6 t -141.59 134.65 29.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.563 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.53 130.94 10.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -127.77 127.39 43.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.471 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 48.4 t -147.82 146.01 28.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.91 -171.47 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.724 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.05 159.14 35.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -127.3 130.12 48.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.71 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.07 149.16 50.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.494 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.51 -52.41 1.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.937 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.56 132.71 39.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 109.79 77.45 0.95 Allowed Glycine 0 C--O 1.223 -0.567 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.689 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' D' ' 49' ' ' GLY . 69.4 m-85 26.11 70.85 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 178.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.17 93.96 0.24 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.27 94.46 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.842 0.353 . . . . 0.0 110.12 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.63 149.5 16.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.91 138.43 53.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.466 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -129.6 143.7 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.724 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 47.1 t -149.64 137.87 20.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.448 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.12 160.74 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.603 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -132.38 148.65 52.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.51 -151.98 48.84 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -68.11 139.65 56.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.639 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.73 116.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.44 118.83 20.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.486 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.9 100.38 11.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -115.12 128.75 56.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.448 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.26 -166.52 1.1 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.39 -54.68 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.583 0.23 . . . . 0.0 111.069 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.64 -106.24 1.36 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 45.0 p -108.12 107.56 18.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.746 0.307 . . . . 0.0 110.317 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -147.97 135.01 20.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.709 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 66.4 m -109.89 136.06 49.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 71' ' ' THR . . . . . 0.427 ' C ' ' OG1' ' E' ' 71' ' ' THR . 36.5 p -74.13 166.79 41.52 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.201 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . 0.407 ' N ' ' OG1' ' E' ' 71' ' ' THR . 43.2 Cg_endo -89.25 103.19 0.37 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.762 2.308 . . . . 0.0 114.529 -175.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.91 120.03 6.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.628 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.02 -87.62 0.27 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.86 86.77 2.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.133 0.492 . . . . 0.0 110.571 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.03 105.19 3.03 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.68 122.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.381 . . . . 0.0 111.066 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 87.1 m -110.07 110.21 21.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.508 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.75 90.81 0.63 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.74 123.55 0.7 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -94.0 -41.3 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.32 -67.39 1.24 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.5 112.98 5.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.901 0.381 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 84.74 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.92 118.12 24.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.354 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 97.3 p -144.93 167.21 23.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.921 0.391 . . . . 0.0 111.222 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.15 129.63 25.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.969 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.06 173.06 17.02 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.32 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.67 157.79 12.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -163.96 175.16 10.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.629 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.83 77.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.64 50.16 0.11 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.74 114.17 26.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.652 0.263 . . . . 0.0 110.651 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.98 128.58 38.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.919 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.39 29.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.21 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 66.14 -165.76 0.22 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.598 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.366 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 51.71 86.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 45.6 t -141.75 134.38 28.42 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.484 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.4 130.77 10.33 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -127.64 127.42 43.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.338 . . . . 0.0 110.62 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 48.4 t -147.85 145.98 28.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.548 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.96 -171.52 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -70.93 159.16 35.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 94.5 m -127.37 130.28 49.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.628 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -126.96 149.25 49.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.536 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.23 -50.25 1.91 Allowed 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 119.458 -0.897 . . . . 0.0 111.994 177.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 43.3 t -131.31 131.17 43.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.8 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.76 71.98 0.63 Allowed Glycine 0 C--O 1.218 -0.885 0 C-N-CA 118.385 -1.864 . . . . 0.0 112.818 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' E' ' 49' ' ' GLY . 69.9 m-85 25.83 75.69 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.241 0.617 . . . . 0.0 111.128 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.09 92.04 0.29 Allowed Glycine 0 CA--C 1.517 0.167 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.98 94.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.39 . . . . 0.0 110.081 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.7 149.54 16.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.507 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.81 138.5 53.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.532 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -129.6 143.77 50.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.766 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -149.67 137.86 20.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.45 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -156.15 160.8 40.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.565 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -132.41 148.64 52.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.601 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.44 -152.04 49.02 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.85 139.61 56.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.745 0.307 . . . . 0.0 110.672 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 12.5 p -179.77 116.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.579 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.57 118.61 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -100.62 100.21 10.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -115.0 128.75 56.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.291 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.92 -166.69 1.01 Allowed Glycine 0 CA--C 1.525 0.667 0 O-C-N 123.909 0.755 . . . . 0.0 111.512 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.26 -54.83 18.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.667 0.27 . . . . 0.0 111.089 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.22 -106.15 1.38 Allowed Glycine 0 N--CA 1.465 0.579 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 45.6 p -108.09 107.3 17.9 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.79 135.67 21.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.419 0.628 . . . . 0.0 110.54 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -110.67 136.53 49.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 71' ' ' THR . . . . . 0.434 ' C ' ' OG1' ' F' ' 71' ' ' THR . 37.8 p -74.29 166.83 41.39 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.335 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . 0.406 ' N ' ' OG1' ' F' ' 71' ' ' THR . 53.0 Cg_endo -90.49 107.89 0.34 Allowed 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.271 1.314 . . . . 0.0 113.285 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -57.7 120.43 8.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.432 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.79 -87.26 0.27 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -128.88 85.13 2.29 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.015 0.436 . . . . 0.0 110.964 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.42 103.56 2.73 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.3 122.01 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.991 0.424 . . . . 0.0 111.076 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 85.5 m -109.75 110.24 21.19 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.088 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.08 90.81 0.64 Allowed Glycine 0 CA--C 1.541 1.693 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.55 121.59 0.58 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -90.28 -45.85 8.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.498 -0.351 . . . . 0.0 111.762 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -43.33 -67.52 0.97 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 45.3 t -148.42 112.96 5.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.06 84.26 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.197 0.936 . . . . 0.0 110.706 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.63 117.33 23.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.399 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 96.8 p -144.57 167.0 23.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.16 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 43.2 t -139.0 129.65 26.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.02 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.11 173.09 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.304 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 97.2 p -166.48 157.36 12.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.7 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 48.1 t -162.88 175.69 10.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.759 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.78 76.89 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.207 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.48 49.97 0.11 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -96.29 113.94 25.58 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.959 -0.141 . . . . 0.0 110.986 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.96 128.75 39.1 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.03 119.31 29.16 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.754 0.659 . . . . 0.0 109.991 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t 66.27 -165.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.738 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.44 -179.923 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 51.99 86.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.789 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 45.8 t -141.57 134.65 29.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.561 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.61 131.04 10.45 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -127.78 127.43 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.507 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 48.3 t -147.89 146.02 28.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.99 -171.48 2.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.672 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.99 159.17 35.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -127.36 130.16 48.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.646 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.06 149.1 50.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.55 -52.23 1.93 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.031 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.67 132.51 39.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.438 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 109.85 77.64 0.96 Allowed Glycine 0 C--O 1.222 -0.628 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.695 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' F' ' 49' ' ' GLY . 69.2 m-85 25.76 70.94 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.2 93.91 0.24 Allowed Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.26 94.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 110.159 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.71 149.46 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.86 138.35 53.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.566 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -129.43 143.71 50.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.69 137.92 20.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.418 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.2 160.75 40.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.555 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -132.34 148.59 52.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.53 -152.03 48.86 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.88 139.62 56.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.773 0.321 . . . . 0.0 110.637 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.82 116.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.606 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.5 118.83 21.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.91 100.43 11.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -114.99 128.99 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.54 -166.37 1.16 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -54.97 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.668 0.27 . . . . 0.0 110.999 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.93 -106.43 1.36 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 45.2 p -107.98 107.66 18.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -148.06 135.09 20.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 66.7 m -110.06 136.03 49.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 71' ' ' THR . . . . . 0.434 ' OG1' ' C ' ' E' ' 71' ' ' THR . 36.9 p -74.1 166.77 41.73 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.246 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . 0.406 ' N ' ' OG1' ' G' ' 71' ' ' THR . 44.1 Cg_endo -89.22 103.18 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.706 2.271 . . . . 0.0 114.459 -175.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.93 120.1 6.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.518 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.06 -87.86 0.27 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.53 86.6 2.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.12 0.486 . . . . 0.0 110.613 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.96 105.11 3.01 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.48 122.22 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.929 0.395 . . . . 0.0 111.056 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 86.8 m -110.17 110.23 21.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.369 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.63 90.82 0.63 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.79 123.45 0.69 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -93.93 -41.34 9.65 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.21 -67.52 1.19 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.4 112.95 5.33 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.3 84.75 2.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.295 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -125.94 118.13 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.353 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 96.6 p -145.02 167.2 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 111.182 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 43.4 t -139.04 129.61 25.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.123 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.05 173.09 16.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.362 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 97.1 p -166.7 157.76 12.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.636 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.91 175.3 10.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.641 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.92 77.45 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.62 50.19 0.11 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -97.75 114.17 26.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.749 0.309 . . . . 0.0 110.651 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.95 128.56 38.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.25 119.3 28.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.268 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 66.11 -165.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.442 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 51.85 86.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.684 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 45.6 t -141.57 134.54 28.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.615 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.53 131.01 10.44 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -127.68 127.4 43.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.801 0.334 . . . . 0.0 110.616 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 48.3 t -147.89 145.92 28.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.521 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.92 -171.49 2.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.672 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.01 159.17 35.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -127.2 130.14 49.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.703 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.15 149.15 50.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.506 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.41 -52.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.056 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 48.5 t -134.75 132.49 38.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.471 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 109.9 77.4 0.94 Allowed Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.624 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' G' ' 49' ' ' GLY . 68.5 m-85 26.16 70.88 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.21 93.97 0.25 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.19 94.47 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.803 0.335 . . . . 0.0 110.144 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.63 149.5 16.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.536 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.9 138.36 53.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -129.52 143.73 50.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.786 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 47.1 t -149.69 137.84 20.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.402 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 95.8 p -156.09 160.81 40.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.39 148.66 52.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.43 -151.98 48.96 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.97 139.61 56.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 110.56 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.75 116.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.527 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.53 118.79 21.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.82 100.44 11.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -115.0 128.88 56.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.371 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.42 -166.47 1.14 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -54.79 19.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.589 0.233 . . . . 0.0 111.021 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.74 -106.41 1.37 Allowed Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 45.3 p -108.03 107.59 18.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.718 0.294 . . . . 0.0 110.223 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.99 134.93 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.6 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.86 136.05 49.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.186 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 71' ' ' THR . . . . . 0.428 ' OG1' ' C ' ' F' ' 71' ' ' THR . 35.6 p -74.01 166.76 41.72 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.292 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . 0.404 ' N ' ' OG1' ' H' ' 71' ' ' THR . 43.7 Cg_endo -89.22 103.18 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.771 2.314 . . . . 0.0 114.43 -175.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.91 120.13 6.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.575 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.04 -87.53 0.27 Allowed Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.1 86.79 2.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.208 0.528 . . . . 0.0 110.551 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.99 105.06 3.01 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.65 122.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.901 0.381 . . . . 0.0 111.11 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 87.2 m -110.21 110.22 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.355 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.58 90.72 0.63 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.84 123.48 0.69 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -93.91 -41.5 9.58 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.18 -67.48 1.2 Allowed Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 45.1 t -148.47 112.93 5.31 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.3 84.82 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.332 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -125.96 118.09 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.383 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 97.0 p -144.95 167.19 23.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.99 0.424 . . . . 0.0 111.162 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -139.01 129.65 25.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.064 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.11 173.17 16.84 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.3 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.7 157.76 12.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.92 175.25 10.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.722 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.89 77.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.754 0.312 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.65 50.18 0.11 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.86 114.16 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.91 128.61 38.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.43 29.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 66.1 -165.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.401 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 52.0 86.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.657 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 45.5 t -141.6 134.5 28.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.53 131.04 10.46 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -127.78 127.44 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.531 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 48.4 t -147.84 145.94 28.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.91 -171.54 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.662 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 83.3 p -70.9 159.2 35.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -127.37 130.14 48.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.662 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -127.08 149.06 50.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.561 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.48 -52.28 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.05 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -134.72 132.47 38.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.503 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 109.97 77.32 0.93 Allowed Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.776 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' H' ' 49' ' ' GLY . 69.2 m-85 26.22 70.82 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.25 94.05 0.25 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.21 94.43 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.173 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.64 149.41 16.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.618 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.83 138.38 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -129.46 143.73 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 47.0 t -149.73 137.92 20.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.408 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.16 160.78 40.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.628 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.38 148.69 52.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.37 -152.01 49.09 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.98 139.62 56.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 0.0 110.643 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.75 116.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.48 118.72 20.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.582 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.81 100.37 11.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.2 m -115.04 128.9 56.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.36 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.43 -166.4 1.13 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -54.9 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.623 0.249 . . . . 0.0 111.039 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.91 -106.33 1.35 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 45.6 p -108.03 107.54 18.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.98 135.0 20.27 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.572 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.88 136.1 49.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 71' ' ' THR . . . . . 0.428 ' OG1' ' C ' ' G' ' 71' ' ' THR . 36.9 p -74.12 166.88 40.74 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.252 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -89.25 103.09 0.37 Allowed 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.809 2.339 . . . . 0.0 114.418 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.9 120.11 6.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.579 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.09 -87.65 0.27 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.77 86.66 2.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.084 0.468 . . . . 0.0 110.598 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.93 105.24 3.02 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.47 122.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.147 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m -110.09 110.29 21.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.378 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.67 90.9 0.63 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.78 123.53 0.7 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -94.08 -41.35 9.58 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.32 -67.43 1.23 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.768 -0.533 . . . . 0.0 111.768 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -148.42 112.92 5.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.958 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.24 84.71 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.344 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.91 118.08 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.468 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 96.7 p -144.95 167.21 23.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.981 0.419 . . . . 0.0 111.218 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.09 129.63 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.026 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.09 173.06 17.01 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.289 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 97.6 p -166.69 157.71 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.627 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.95 175.08 10.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.721 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.74 77.82 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.88 50.25 0.11 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.414 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.81 114.08 26.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.352 . . . . 0.0 110.675 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.88 128.62 38.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.35 119.27 28.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.241 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 6.1 t 66.16 -165.9 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.428 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 51.9 86.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 45.8 t -141.53 134.65 29.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.66 131.06 10.46 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -127.59 127.59 44.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.699 0.285 . . . . 0.0 110.558 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 48.2 t -147.97 145.97 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.543 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -171.51 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.674 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.05 159.29 35.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.9 m -127.49 130.02 48.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.683 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -127.31 148.27 50.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.626 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.96 -52.82 1.97 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.992 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -134.17 132.71 40.11 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.482 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 109.97 77.38 0.94 Allowed Glycine 0 C--O 1.223 -0.541 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.635 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' I' ' 49' ' ' GLY . 68.2 m-85 25.94 72.26 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.28 93.98 0.31 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 67.22 93.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.837 0.351 . . . . 0.0 110.188 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.14 149.6 17.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -125.89 138.45 53.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -129.59 143.76 50.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.79 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.71 137.93 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.448 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 96.8 p -156.24 160.78 40.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.601 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -132.34 148.6 52.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.45 -152.01 48.96 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.94 139.63 56.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.79 0.328 . . . . 0.0 110.659 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.77 116.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.571 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.53 118.7 20.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.543 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.83 100.45 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -114.86 129.13 56.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.67 -166.23 1.18 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.73 -54.59 22.09 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.308 -0.157 . . . . 0.0 111.01 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.81 -106.58 1.39 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 47.7 p -107.82 107.31 18.01 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -147.71 134.89 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.8 m -109.79 135.85 50.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 111.002 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 71' ' ' THR . . . . . 0.416 ' OG1' ' C ' ' H' ' 71' ' ' THR . 41.8 p -73.21 168.07 28.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -89.6 103.61 0.35 Allowed 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 122.749 2.299 . . . . 0.0 114.341 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -55.21 120.57 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.16 -87.41 0.27 Allowed Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.64 86.4 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 110.478 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.56 105.56 3.02 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.47 122.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.808 0.337 . . . . 0.0 111.041 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 89.1 m -110.07 110.2 21.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.41 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.4 90.93 0.64 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.87 123.5 0.7 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -94.0 -41.49 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.615 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.09 -67.25 1.24 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.57 112.99 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.34 84.89 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.366 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -126.04 118.06 24.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.353 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 97.1 p -144.91 166.99 23.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.972 0.415 . . . . 0.0 111.132 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -138.78 129.68 26.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.043 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.22 172.75 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 111.282 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -166.34 157.74 13.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.606 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -163.93 174.59 11.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.75 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -171.44 79.6 0.07 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.03 50.32 0.1 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 178.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -97.9 114.02 25.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.691 0.281 . . . . 0.0 110.602 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.98 128.68 38.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.43 119.4 29.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.218 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t 66.18 -165.89 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.617 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 22.1 t80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.436 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.28 117.16 28.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.447 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -133.02 100.05 4.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.645 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.58 167.76 18.92 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 51.9 74.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.656 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.2 p -91.03 13.22 17.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.832 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -130.38 -160.28 1.03 Allowed 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.594 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -96.47 152.92 18.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.044 0.45 . . . . 0.0 111.561 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.5 m -128.96 125.89 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.497 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.29 139.69 25.93 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.892 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -93.52 -41.94 9.5 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.421 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -134.86 171.91 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.598 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.92 69.63 1.37 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.806 -0.518 . . . . 0.0 111.806 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 26.62 72.24 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.17 91.75 0.3 Allowed Glycine 0 CA--C 1.522 0.476 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 68.1 93.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.834 0.35 . . . . 0.0 110.067 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -158.44 145.44 17.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.4 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -126.64 145.82 50.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.71 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -131.23 143.43 50.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.398 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.45 136.78 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.739 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 t -156.76 144.8 19.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.488 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.22 132.76 56.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.617 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.47 133.52 4.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.32 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.772 0.32 . . . . 0.0 110.67 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.56 140.53 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.65 67.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.84 117.52 34.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -128.14 131.34 48.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.52 -162.28 0.6 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.36 -53.39 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.943 0.401 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.57 -99.93 1.28 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.6 p -111.22 104.61 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.404 . . . . 0.0 110.396 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -161.07 173.75 14.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.544 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.7 t -139.54 130.62 26.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.251 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.0 p -69.0 173.35 3.75 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -90.82 104.62 0.28 Allowed 'Trans proline' 0 N--CA 1.487 1.123 0 C-N-CA 122.388 2.059 . . . . 0.0 114.611 -176.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -59.95 133.28 55.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.184 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.99 -91.73 0.32 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.24 -58.78 2.09 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.819 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.17 107.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.87 95.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.3 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.9 m -88.35 106.35 18.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.142 0.496 . . . . 0.0 110.592 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.87 -149.96 15.28 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.24 72.68 0.44 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -48.35 168.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.674 0.274 . . . . 0.0 110.661 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.39 47.88 1.27 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 66.74 140.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.1 m -103.78 -65.63 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.443 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.35 78.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.688 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.4 m -157.57 162.93 38.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.975 0.416 . . . . 0.0 111.237 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.6 p -144.16 148.5 35.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.041 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.88 166.53 15.5 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.028 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -164.18 162.32 22.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.68 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -163.57 158.17 20.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.91 72.27 0.25 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.23 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.22 50.04 0.09 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.76 119.06 35.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.69 136.01 30.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.0 m -130.58 122.48 27.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.295 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t 53.61 57.41 6.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.548 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.22 117.21 28.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.458 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -133.11 99.96 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.678 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.52 167.66 18.89 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 51.99 74.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 110.648 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 89.4 p -91.05 13.1 17.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.42 -160.48 1.04 Allowed 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.569 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.27 152.86 18.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.119 0.485 . . . . 0.0 111.455 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 82.7 m -128.91 126.01 38.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.564 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.5 139.72 25.67 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.091 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.77 -41.89 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.381 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -134.71 172.74 12.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 110.542 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 74.18 70.74 1.2 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.716 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' B' ' 49' ' ' GLY . 68.1 m-85 25.37 72.78 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.6 91.73 0.33 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.21 93.8 0.07 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.912 0.387 . . . . 0.0 110.021 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -158.44 145.41 17.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.434 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -126.7 145.82 50.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.694 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -131.2 143.38 50.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.43 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -146.44 136.85 23.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.73 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -156.81 144.85 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.439 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.27 132.78 56.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.607 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.49 133.45 4.97 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.44 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.59 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 47.1 t -148.57 140.44 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.55 66.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.78 117.56 34.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.52 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -127.94 131.57 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.82 -162.15 0.64 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.58 -53.26 24.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.639 0.257 . . . . 0.0 110.734 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.7 -100.26 1.31 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 28.7 p -111.05 104.45 13.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.665 0.269 . . . . 0.0 110.434 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.86 174.04 14.45 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.415 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.4 t -139.67 130.61 26.23 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.177 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.27 173.66 3.62 Favored Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -91.14 102.35 0.25 Allowed 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.559 2.173 . . . . 0.0 115.159 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.76 133.31 55.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.399 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.98 -91.77 0.32 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.82 -58.93 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.631 0.253 . . . . 0.0 110.811 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.32 108.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.74 95.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.878 0.37 . . . . 0.0 110.305 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 59.6 m -88.14 106.24 18.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.84 -149.23 14.7 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.02 72.77 0.42 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -48.41 168.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.33 48.1 1.25 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 66.91 141.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m -104.29 -65.56 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.343 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.42 77.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.717 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 65.6 m -157.53 162.92 38.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 0.0 111.15 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 92.3 p -144.13 148.41 35.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.043 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.86 166.53 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.064 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.08 162.3 22.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.777 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 31.4 t -163.54 158.25 20.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.9 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.25 74.09 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.081 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.62 50.04 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.67 118.96 35.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.78 136.19 30.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.67 122.32 27.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.348 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.74 57.39 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.464 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.612 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.34 117.17 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -133.13 100.2 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.621 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.64 167.73 18.99 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 51.9 74.83 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 110.66 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 89.3 p -91.09 13.21 17.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.779 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.42 -160.49 1.04 Allowed 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.639 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -96.25 152.78 18.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.09 0.471 . . . . 0.0 111.572 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 80.7 m -128.81 126.01 38.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.544 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.44 139.72 25.75 Favored 'General case' 0 C--O 1.22 -0.463 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.137 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.74 -41.93 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.443 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.75 172.74 12.54 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.548 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 74.15 70.82 1.19 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.66 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' C' ' 49' ' ' GLY . 67.8 m-85 25.23 72.91 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.71 91.72 0.34 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.29 93.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.46 145.26 17.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.423 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -126.6 145.81 50.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.731 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -131.24 143.46 50.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.399 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.48 136.77 23.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.697 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -156.78 144.89 19.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.438 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.27 132.8 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.634 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.43 133.42 4.94 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.45 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.644 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 47.1 t -148.55 140.53 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.64 66.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.76 117.55 34.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 93.1 m -127.96 131.67 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.98 -162.14 0.67 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.5 -53.3 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.737 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.76 -100.27 1.31 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -111.08 104.51 13.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.678 0.275 . . . . 0.0 110.349 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.86 174.03 14.46 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.519 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.64 130.54 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.139 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.33 173.69 3.63 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -90.99 102.14 0.25 Allowed 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.707 2.272 . . . . 0.0 115.181 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.62 133.35 55.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.401 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.0 -91.72 0.32 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -58.92 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.658 0.266 . . . . 0.0 110.791 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.4 108.05 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t 53.79 95.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.303 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 59.1 m -87.97 106.29 18.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.756 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.82 -149.45 14.91 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.12 72.85 0.41 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -48.48 168.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.69 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.36 48.05 1.25 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 66.97 141.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.37 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 22.7 m -104.37 -65.68 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.239 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.49 77.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 65.5 m -157.45 162.89 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.003 0.43 . . . . 0.0 111.148 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 92.1 p -144.02 148.55 35.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.058 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.93 166.49 15.41 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.164 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.16 162.22 22.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.775 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 31.2 t -163.48 158.21 20.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.22 74.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.126 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.51 50.08 0.08 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.73 118.83 35.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.64 136.16 30.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.64 122.4 27.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.355 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.78 57.22 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.554 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.54 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.31 117.11 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -133.03 100.11 4.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.628 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.59 167.77 18.93 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 51.79 74.93 0.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.962 0.411 . . . . 0.0 110.697 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 89.3 p -91.15 13.22 17.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.826 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.46 -160.51 1.05 Allowed 'General case' 0 C--O 1.232 0.135 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.565 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -96.23 152.81 18.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.049 0.452 . . . . 0.0 111.53 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 80.6 m -128.99 125.9 38.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.593 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.3 139.7 25.92 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.216 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -93.83 -41.86 9.41 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.344 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.86 172.72 12.59 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.562 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 74.18 70.86 1.18 Allowed Glycine 0 CA--C 1.525 0.713 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.671 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' D' ' 49' ' ' GLY . 67.4 m-85 25.17 73.11 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.85 91.81 0.35 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.17 93.83 0.07 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.068 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.53 145.32 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.374 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 67.2 m -126.66 145.76 50.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.717 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -131.24 143.56 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.335 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.54 136.71 23.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -156.7 144.94 19.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.418 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.33 132.88 56.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.38 133.52 4.95 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.3 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.623 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 47.0 t -148.48 140.54 23.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.59 66.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.639 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.76 117.57 34.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.6 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -128.04 131.6 49.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.64 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.85 -162.05 0.64 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.6 -53.17 25.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.682 0.277 . . . . 0.0 110.795 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.58 -100.17 1.31 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -111.04 104.43 12.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.641 0.258 . . . . 0.0 110.48 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.87 174.04 14.44 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.452 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.65 130.58 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 111.117 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.41 173.84 3.53 Favored Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -91.2 102.19 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 122.629 2.219 . . . . 0.0 115.302 -175.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.55 133.25 55.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.449 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.98 -91.64 0.32 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -58.95 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.791 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.35 108.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 11.6 t 53.76 95.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.952 0.406 . . . . 0.0 110.291 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 59.0 m -87.95 106.1 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.87 -149.36 14.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.15 72.83 0.41 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -48.45 168.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.596 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.26 48.05 1.26 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 67.08 141.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 22.3 m -104.36 -65.65 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.278 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.42 77.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 66.0 m -157.53 162.91 38.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 0.0 111.211 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 92.1 p -144.11 148.49 35.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.03 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.91 166.49 15.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.177 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.12 162.21 22.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.742 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 31.8 t -163.51 158.08 20.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.26 74.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.085 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.38 50.08 0.08 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.71 118.93 35.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.75 136.06 30.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.61 122.34 27.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.379 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.75 57.25 6.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.581 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.35 116.85 28.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.436 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 43.8 t -132.69 99.7 4.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.35 167.72 18.69 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 51.83 74.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.927 0.394 . . . . 0.0 110.654 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 89.3 p -91.08 13.1 17.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.761 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.44 -160.59 1.05 Allowed 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.573 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.17 152.75 18.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.071 0.462 . . . . 0.0 111.554 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 82.0 m -128.95 126.22 39.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.572 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.82 140.26 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.245 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -95.26 -42.06 8.73 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.482 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -131.03 172.72 11.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.756 0.312 . . . . 0.0 111.3 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 75.0 70.76 1.22 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' E' ' 49' ' ' GLY . 69.7 m-85 22.37 77.45 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 O-C-N 124.422 0.719 . . . . 0.0 111.667 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.66 90.38 0.47 Allowed Glycine 0 CA--C 1.518 0.22 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.68 94.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.951 0.405 . . . . 0.0 109.946 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.55 145.32 17.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 68.1 m -126.5 146.15 50.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -131.37 143.5 50.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.49 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.49 136.76 23.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.792 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -156.77 144.84 19.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.445 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.25 132.89 56.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.605 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.44 133.49 4.96 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.38 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.629 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.54 140.51 23.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.507 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.63 67.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.561 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -104.02 117.75 35.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.479 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -128.11 131.47 49.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.458 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.49 -162.24 0.59 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.42 -53.91 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.567 0.222 . . . . 0.0 110.628 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.13 -100.44 1.3 Allowed Glycine 0 N--CA 1.461 0.349 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 28.7 p -110.95 104.32 12.9 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.649 0.262 . . . . 0.0 110.418 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.79 174.01 14.53 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.455 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.64 130.59 26.25 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.136 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 7.8 p -69.36 173.81 3.54 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -92.64 107.67 0.21 Allowed 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 120.876 1.051 . . . . 0.0 113.903 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -60.4 133.18 55.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.247 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.97 -90.99 0.32 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.45 -57.83 2.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.29 109.84 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.331 -1.108 . . . . 0.0 110.331 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t 51.63 97.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.29 0.566 . . . . 0.0 110.086 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 59.5 m -88.8 106.27 18.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.685 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.2 14.7 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.18 72.51 0.46 Allowed Glycine 0 N--CA 1.459 0.216 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -48.91 168.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.402 . . . . 0.0 110.492 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.42 49.0 1.15 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 66.22 142.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.351 0.596 . . . . 0.0 111.023 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.24 -66.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.48 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.67 78.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 66.0 m -157.6 162.89 38.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.948 0.404 . . . . 0.0 111.208 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 92.4 p -144.07 148.49 35.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.149 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.96 166.5 15.35 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.191 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 97.0 p -163.8 162.25 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.728 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 31.5 t -162.8 158.45 22.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -163.94 74.11 0.3 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.303 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.98 50.09 0.08 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.36 118.62 33.28 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.943 -0.151 . . . . 0.0 111.076 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.65 136.22 30.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.682 0.277 . . . . 0.0 110.599 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 43.1 m -130.42 122.21 27.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.098 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 16.0 t 53.8 57.44 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.569 0.543 . . . . 0.0 110.556 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.596 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.31 117.07 28.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.459 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 43.1 t -133.05 100.05 4.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.655 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.5 167.73 18.84 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 51.9 74.83 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.373 . . . . 0.0 110.734 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 89.3 p -91.12 13.18 17.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.48 -160.46 1.04 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.632 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -96.22 152.87 18.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.079 0.466 . . . . 0.0 111.49 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 82.2 m -128.96 126.12 38.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.513 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.5 139.67 25.63 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 120.579 -0.449 . . . . 0.0 111.226 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.62 -42.0 9.43 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.397 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.66 172.98 12.19 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.559 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 73.86 71.09 1.15 Allowed Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.727 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' F' ' 49' ' ' GLY . 66.7 m-85 24.84 73.07 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.79 91.77 0.35 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 68.21 93.75 0.07 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.4 145.34 17.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -126.6 145.84 50.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.697 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -131.29 143.46 50.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.388 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.5 136.83 23.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.692 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -156.77 144.92 19.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.378 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.24 132.8 56.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.639 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.5 133.57 5.02 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.34 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.644 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.5 140.55 23.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.526 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.63 66.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.564 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.82 117.62 34.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.503 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 93.4 m -128.05 131.66 49.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.487 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.92 -162.02 0.65 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.62 -53.32 24.77 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.755 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.7 -100.24 1.31 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -110.97 104.65 13.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.646 0.26 . . . . 0.0 110.46 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.97 174.09 14.31 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.467 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.71 130.57 26.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.074 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.36 173.61 3.72 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -91.03 102.14 0.25 Allowed 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.608 2.205 . . . . 0.0 115.268 -175.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.45 133.36 55.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.409 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.93 -91.79 0.32 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.6 -59.01 2.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.778 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.42 108.16 0.01 OUTLIER Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.55 95.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.341 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 59.4 m -88.09 106.32 18.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.4 14.88 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.1 72.93 0.4 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -48.5 168.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.378 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.35 48.07 1.25 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 67.08 141.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 22.6 m -104.42 -65.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.25 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.48 77.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.706 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 65.9 m -157.54 162.93 38.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 111.186 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 92.3 p -144.07 148.37 35.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.107 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.78 166.57 15.67 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.734 -0.387 . . . . 0.0 111.116 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 97.5 p -164.23 162.24 22.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.672 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 31.7 t -163.45 158.19 20.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.18 74.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.057 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.43 50.07 0.08 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.66 118.87 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.7 136.07 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 43.3 m -130.63 122.41 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.361 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.69 57.31 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.619 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -117.3 117.13 28.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.452 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -133.1 100.02 4.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.691 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.48 167.73 18.83 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 51.9 74.92 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.866 0.365 . . . . 0.0 110.716 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 89.1 p -91.22 13.23 17.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.782 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.5 -160.61 1.05 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.559 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 70.0 m -96.07 152.82 18.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.128 0.489 . . . . 0.0 111.52 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 81.2 m -128.93 125.92 38.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.544 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.37 139.68 25.81 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.167 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.74 -41.99 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.384 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.7 172.67 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.905 0.383 . . . . 0.0 110.577 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 74.16 70.92 1.17 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.689 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' G' ' 49' ' ' GLY . 67.9 m-85 25.1 73.02 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.69 91.78 0.34 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.14 93.77 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.063 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 47.7 t -158.42 145.31 17.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.411 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -126.58 145.9 50.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.696 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -131.32 143.34 50.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.43 136.8 23.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.708 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 47.5 t -156.77 144.88 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.443 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.21 132.81 56.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.664 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.35 133.48 4.92 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.43 -174.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.313 . . . . 0.0 110.66 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.45 140.55 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.65 67.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.607 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.85 117.6 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 93.3 m -128.0 131.62 49.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.87 -162.02 0.64 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.6 -53.34 24.47 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.714 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.69 -100.24 1.31 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -111.0 104.46 13.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.663 0.268 . . . . 0.0 110.458 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.82 174.15 14.31 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.54 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.76 130.57 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.065 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.31 173.72 3.59 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -91.09 102.06 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.441 0 C-N-CA 122.639 2.226 . . . . 0.0 115.224 -175.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.44 133.33 55.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.485 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.0 -91.74 0.32 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.87 -58.94 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.769 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.42 108.17 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t 53.62 95.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.377 . . . . 0.0 110.369 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 58.9 m -87.94 106.27 18.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.805 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.79 -149.39 14.89 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.14 72.82 0.41 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -48.45 168.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 110.619 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.37 48.0 1.25 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 67.09 141.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 21.9 m -104.3 -65.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.34 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.46 77.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.716 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 65.6 m -157.5 162.92 38.88 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.202 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 92.2 p -144.11 148.4 35.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.055 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.82 166.52 15.62 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.119 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 97.6 p -164.16 162.31 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.719 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 31.6 t -163.46 158.16 20.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.27 74.47 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.011 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.44 50.01 0.08 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.65 118.84 35.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.66 136.03 30.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -130.57 122.47 27.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.347 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t 53.62 57.34 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.593 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.32 117.12 28.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 43.4 t -133.03 100.05 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.687 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.58 167.69 18.94 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 51.91 74.92 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.644 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 89.2 p -91.14 13.09 17.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.743 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.45 -160.62 1.05 Allowed 'General case' 0 N--CA 1.456 -0.129 0 CA-C-O 120.741 0.305 . . . . 0.0 110.524 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.15 152.85 18.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.066 0.46 . . . . 0.0 111.492 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 81.6 m -128.91 126.0 38.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.605 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.43 139.61 25.69 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.272 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.8 -41.78 9.47 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.425 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.82 172.68 12.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.941 0.401 . . . . 0.0 110.436 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 74.14 70.98 1.17 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.674 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' H' ' 49' ' ' GLY . 67.8 m-85 25.16 72.92 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.76 91.7 0.34 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.22 93.64 0.07 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.918 0.389 . . . . 0.0 110.115 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -158.37 145.41 17.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.37 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 67.9 m -126.7 145.88 50.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.672 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -131.22 143.42 50.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 48.0 t -146.43 136.84 23.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.726 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -156.81 144.88 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.429 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.2 132.84 56.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.649 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.43 133.41 4.93 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.43 -174.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.854 0.359 . . . . 0.0 110.608 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.52 140.51 23.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.58 67.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.581 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.89 117.56 34.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.505 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -127.99 131.68 49.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.93 -162.02 0.65 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.58 -53.44 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.612 0.244 . . . . 0.0 110.674 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.76 -100.25 1.3 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -111.03 104.52 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.638 0.256 . . . . 0.0 110.433 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.87 174.09 14.37 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.431 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.73 130.6 26.11 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.068 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.34 173.73 3.59 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -91.05 102.11 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.604 2.203 . . . . 0.0 115.193 -175.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.51 133.36 55.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.405 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.99 -91.8 0.32 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 -58.99 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.817 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.36 108.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.62 95.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.247 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 59.5 m -87.97 106.23 17.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.809 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.77 -149.32 14.86 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 72.91 0.4 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -48.46 168.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.651 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.32 48.06 1.25 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 67.07 141.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m -104.41 -65.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.256 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.5 77.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.781 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 65.4 m -157.48 162.97 38.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.973 0.416 . . . . 0.0 111.256 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 92.7 p -144.13 148.4 35.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.84 166.51 15.59 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.125 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 97.0 p -164.08 162.29 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.678 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 31.3 t -163.48 158.27 20.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.36 74.71 0.29 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.25 50.03 0.08 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.68 118.81 35.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.745 0.307 . . . . 0.0 110.933 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.69 136.1 30.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 43.7 m -130.63 122.44 27.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.382 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.69 57.38 6.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.582 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.29 117.19 28.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.472 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 43.4 t -133.07 100.27 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.671 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.73 167.69 19.1 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 51.79 74.82 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.972 0.415 . . . . 0.0 110.694 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 89.4 p -91.09 13.05 17.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.28 -160.69 1.06 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.641 0.258 . . . . 0.0 110.562 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.22 152.67 18.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.036 0.446 . . . . 0.0 111.507 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 75.4 m -128.85 126.23 39.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.642 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.58 140.41 26.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -94.74 -42.29 8.82 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.496 -0.481 . . . . 0.0 111.19 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.52 172.79 12.43 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.585 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 74.27 70.88 1.18 Allowed Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.711 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' I' ' 49' ' ' GLY . 66.7 m-85 25.15 74.15 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.8 91.65 0.43 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.28 92.97 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.823 0.344 . . . . 0.0 110.089 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -157.78 145.51 18.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.438 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -126.71 145.86 50.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -131.22 143.54 50.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.375 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.54 136.77 23.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.712 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -156.8 144.84 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.41 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.24 132.9 56.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.44 133.45 4.95 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.35 -174.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.608 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 47.3 t -148.52 140.42 23.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.484 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -170.45 67.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.541 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -104.04 117.61 34.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.525 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 94.0 m -127.89 131.89 49.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.22 -161.87 0.73 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.79 -53.35 25.72 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.83 -100.32 1.31 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 29.5 p -110.92 104.37 12.96 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.82 174.03 14.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.047 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.65 130.93 26.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.912 0.387 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 8.3 p -69.08 174.27 2.96 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -91.01 102.69 0.26 Allowed 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.617 2.211 . . . . 0.0 114.961 -176.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -58.02 133.71 55.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.14 -91.66 0.32 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.44 -59.24 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.038 0.447 . . . . 0.0 110.734 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.7 108.51 0.01 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.52 95.71 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.858 0.361 . . . . 0.0 110.365 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 60.6 m -87.6 105.75 17.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.815 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.38 -149.11 15.12 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.08 73.21 0.37 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -48.77 168.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.144 0.497 . . . . 0.0 110.512 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.28 48.27 1.24 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.9 t 66.86 141.75 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.957 0.408 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 22.6 m -104.52 -65.57 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.295 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.38 77.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 65.7 m -157.48 162.84 38.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 111.21 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 92.2 p -143.99 148.42 35.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.133 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.95 166.24 15.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.131 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -163.79 162.2 23.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -163.41 158.14 20.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.018 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -164.4 76.47 0.33 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.07 50.03 0.07 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.65 118.7 34.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.84 0.353 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.66 136.12 30.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 42.3 m -130.66 122.43 27.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.4 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.69 57.33 6.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.462 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.549 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -107.56 96.52 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.555 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.9 t -73.56 141.95 46.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.55 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.08 -105.39 2.01 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.36 128.29 55.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.506 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.5 m -133.61 153.05 51.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.547 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -110.99 -167.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.641 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.02 160.34 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.758 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -127.02 129.47 48.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.683 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -125.61 146.62 49.62 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.58 -53.25 2.11 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.308 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -135.52 130.2 34.25 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.8 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.81 75.52 0.84 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.378 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 32.05 70.38 0.1 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.63 96.2 0.49 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 68.43 84.22 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.879 0.371 . . . . 0.0 110.258 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -160.93 144.21 13.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.469 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -142.92 125.84 16.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.535 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -63.19 -46.92 84.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.538 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.34 42.02 13.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.787 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.23 127.14 54.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.392 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -62.61 -39.6 94.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.621 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.8 10.09 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -155.37 131.91 10.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 110.399 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.6 m -130.65 148.07 52.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 49.49 63.47 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.629 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -89.96 113.35 24.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -117.03 130.64 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.535 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.63 -162.2 0.92 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -61.68 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 111.034 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.1 -96.57 0.71 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.2 p -117.43 109.13 16.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.111 0.482 . . . . 0.0 110.303 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -151.55 137.41 18.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.761 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -108.91 133.22 53.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.995 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.3 p -72.82 165.23 54.15 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.747 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.4 ' N ' ' OG1' ' B' ' 71' ' ' THR . 40.8 Cg_endo -90.11 105.97 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.77 2.313 . . . . 0.0 114.268 -176.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -57.15 139.69 51.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.281 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.89 87.41 1.14 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 60.91 81.95 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.238 0.542 . . . . 0.0 111.316 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.42 -88.51 0.01 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.5 p -138.24 132.13 31.29 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.405 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.04 96.65 2.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.03 102.55 0.13 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.57 94.26 0.09 OUTLIER Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -80.72 -72.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.034 0.445 . . . . 0.0 110.416 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.68 -58.33 2.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -160.39 137.46 9.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.3 t -139.57 98.13 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.298 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.88 104.3 9.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -146.85 163.67 35.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 111.211 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.68 150.59 48.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.263 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.75 1.77 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.029 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -170.46 158.37 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.485 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.3 m -163.38 173.71 12.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.5 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.37 78.65 0.07 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.392 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.1 49.77 0.12 Allowed Glycine 0 CA--C 1.528 0.85 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.628 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -98.03 113.36 25.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.706 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -131.22 126.44 35.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.54 107.93 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.41 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.15 25.96 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.657 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -107.61 96.56 6.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.542 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 41.8 t -73.62 142.04 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.07 -105.33 2.0 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -111.24 128.5 55.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.794 0.33 . . . . 0.0 110.476 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 42.3 m -133.76 153.04 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.612 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.89 -167.2 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.657 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 87.1 p -73.2 160.33 32.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.6 m -127.06 129.26 47.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.709 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -125.25 146.3 49.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.84 -53.19 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.204 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -135.12 130.71 35.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.94 77.96 1.02 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.059 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 29.58 71.0 0.07 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.09 96.24 0.53 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 68.59 83.95 0.15 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.885 0.374 . . . . 0.0 110.213 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -160.78 144.19 13.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -143.03 125.85 16.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.458 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.24 -46.92 84.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.522 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.37 41.94 13.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.801 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.14 126.75 53.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -62.32 -39.54 93.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.684 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.81 132.83 10.1 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.33 131.98 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.702 0.287 . . . . 0.0 110.396 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 62.2 m -130.76 148.02 52.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.649 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.53 63.48 2.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.13 113.39 25.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.682 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -116.82 130.67 56.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.604 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.9 -162.14 1.01 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -61.79 1.86 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.698 0.285 . . . . 0.0 110.945 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.4 -96.79 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.32 109.05 16.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.794 0.331 . . . . 0.0 110.199 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -151.5 136.61 17.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 74.5 m -107.92 133.13 52.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.418 ' C ' ' OG1' ' C' ' 71' ' ' THR . 29.9 p -73.2 166.1 46.75 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.551 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.405 ' N ' ' OG1' ' C' ' 71' ' ' THR . 39.6 Cg_endo -90.77 104.29 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 122.967 2.445 . . . . 0.0 114.863 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.36 139.64 42.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.522 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.94 87.44 1.15 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 61.32 82.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 111.213 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.53 -88.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 38.1 p -138.08 132.18 31.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 0.0 110.315 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.87 96.13 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.091 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.92 102.91 0.13 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.69 94.09 0.09 OUTLIER Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.14 -72.09 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 110.434 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.69 -58.24 2.3 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.31 137.55 9.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 110.679 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.63 98.12 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.347 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -120.81 103.44 9.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.523 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.98 163.96 33.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.299 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 92.8 p -136.76 150.47 48.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.249 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.77 176.79 1.8 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 111.118 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 94.0 p -170.49 158.25 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 58.4 m -163.21 173.74 13.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.702 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.52 80.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.234 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.08 49.91 0.1 Allowed Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.599 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.08 113.23 25.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.816 0.341 . . . . 0.0 110.754 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -131.22 126.46 35.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.774 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.46 107.92 11.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.47 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.19 25.86 10.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.733 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.601 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -107.6 96.41 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.55 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 42.1 t -73.5 142.04 46.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.55 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.09 -105.42 2.01 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -111.27 128.49 55.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.471 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 42.5 m -133.68 152.96 52.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.551 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.89 -167.21 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.15 160.27 32.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.0 129.29 47.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.662 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.31 146.25 49.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.387 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.78 -53.28 2.08 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.287 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -135.13 130.85 36.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.709 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.8 78.15 1.04 Allowed Glycine 0 C--O 1.222 -0.633 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.041 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 29.29 71.06 0.06 Allowed 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.02 96.27 0.52 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.52 83.96 0.15 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.932 0.396 . . . . 0.0 110.232 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -160.78 144.12 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.548 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -142.94 125.83 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.481 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.14 -46.94 84.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.515 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 59.3 m 47.36 42.0 13.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.731 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.22 126.72 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -62.21 -39.64 93.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.715 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.71 132.8 10.11 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.31 131.99 10.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.765 0.316 . . . . 0.0 110.449 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 61.3 m -130.62 147.98 52.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.734 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.59 63.51 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.614 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.3 113.37 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.584 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.5 m -116.87 130.76 56.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.9 -162.17 1.01 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -61.83 1.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 110.929 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.47 -96.83 0.71 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.27 109.02 16.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.793 0.33 . . . . 0.0 110.31 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -151.38 136.72 17.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.796 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 74.1 m -108.12 133.02 52.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.915 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 71' ' ' THR . . . . . 0.418 ' OG1' ' C ' ' B' ' 71' ' ' THR . 29.9 p -73.18 166.16 46.21 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.537 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . 0.405 ' N ' ' OG1' ' D' ' 71' ' ' THR . 38.6 Cg_endo -90.72 104.04 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 123.009 2.472 . . . . 0.0 114.972 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.13 139.59 41.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.523 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.09 87.48 1.16 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.24 82.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.954 0.407 . . . . 0.0 111.147 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.58 -88.38 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 37.5 p -138.02 132.17 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.236 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.9 96.24 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.093 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.97 103.01 0.14 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.71 94.05 0.09 OUTLIER Glycine 0 CA--C 1.519 0.33 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -81.18 -72.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.67 -58.26 2.29 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -160.4 137.42 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.697 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.53 98.14 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.384 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.86 103.31 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.82 163.99 33.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.225 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 92.7 p -136.78 150.44 48.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.228 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.75 176.76 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.082 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.5 p -170.43 158.28 6.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.427 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.3 173.69 12.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.752 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.51 80.62 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.202 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.32 50.08 0.1 Allowed Glycine 0 CA--C 1.527 0.823 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.473 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.16 113.19 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.705 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.22 126.48 35.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 107.95 11.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.402 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.2 25.9 10.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.649 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.525 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -107.62 96.49 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.524 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 42.0 t -73.6 142.08 46.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.512 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.11 -105.32 2.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.22 128.51 55.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 0.0 110.536 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 42.7 m -133.74 153.08 51.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.503 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.9 -167.18 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.07 160.4 32.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.028 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -127.19 129.13 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -125.17 146.16 49.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.79 -53.27 2.08 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -135.07 131.03 36.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.821 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.75 78.08 1.04 Allowed Glycine 0 C--O 1.222 -0.642 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.018 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 29.21 71.24 0.06 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.06 96.22 0.53 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.61 84.02 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.872 0.368 . . . . 0.0 110.2 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.87 143.98 13.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.639 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -142.86 125.81 16.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -63.15 -47.06 84.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.461 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m 47.49 42.01 13.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.766 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.29 126.59 53.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -62.11 -39.59 93.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.783 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.77 132.75 10.06 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.21 132.05 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.7 0.286 . . . . 0.0 110.439 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 61.6 m -130.72 147.93 52.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.749 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 49.52 63.56 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.958 0.409 . . . . 0.0 110.578 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.19 113.43 25.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.634 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.7 m -117.05 130.59 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.61 -162.06 0.89 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -61.48 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.609 0.242 . . . . 0.0 110.973 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.16 -96.81 0.72 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.25 108.93 16.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.773 0.32 . . . . 0.0 110.366 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -151.45 136.69 17.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.807 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 74.5 m -107.98 133.1 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.963 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 71' ' ' THR . . . . . 0.42 ' C ' ' OG1' ' E' ' 71' ' ' THR . 30.0 p -73.28 166.2 45.96 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . 0.408 ' N ' ' OG1' ' E' ' 71' ' ' THR . 38.4 Cg_endo -90.83 104.09 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 123.032 2.488 . . . . 0.0 114.986 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.2 139.57 41.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.578 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.01 87.46 1.15 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 61.15 82.23 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.98 0.419 . . . . 0.0 111.204 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.55 -88.32 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 39.4 p -138.03 132.31 32.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.31 . . . . 0.0 110.255 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.04 96.04 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.377 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.67 102.86 0.13 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.75 94.03 0.09 OUTLIER Glycine 0 CA--C 1.519 0.305 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.02 -72.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.6 -58.16 2.32 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.43 137.55 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.659 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.63 98.09 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.364 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.81 103.38 9.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.86 163.93 33.54 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.238 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 92.9 p -136.79 150.49 48.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.79 176.73 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 0.0 111.064 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -170.39 158.36 6.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.401 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.36 173.53 13.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.652 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.49 80.68 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.17 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.26 50.02 0.1 Allowed Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.597 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.1 113.11 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 110.763 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.16 126.44 35.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.692 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.47 107.84 11.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.49 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.25 25.85 10.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.76 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -107.6 96.31 6.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.662 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 42.0 t -73.43 141.92 46.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.05 -105.29 2.0 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.25 128.58 55.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.526 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 43.4 m -133.85 153.02 52.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -110.86 -167.21 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.663 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.09 160.33 32.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.5 m -127.17 129.32 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.665 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -125.12 146.3 49.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.58 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -121.76 -51.21 2.04 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 119.38 -0.928 . . . . 0.0 112.157 178.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 40.4 t -131.28 128.83 40.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.234 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.72 71.95 0.63 Allowed Glycine 0 C--O 1.216 -0.993 0 C-N-CA 118.104 -1.998 . . . . 0.0 113.212 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' E' ' 49' ' ' GLY . 11.6 m-85 29.09 75.63 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.266 0.555 . . . . 0.0 111.213 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.49 93.88 0.55 Allowed Glycine 0 CA--C 1.518 0.225 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 69.38 84.23 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.987 0.423 . . . . 0.0 110.198 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -160.89 144.14 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.5 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.87 125.89 16.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.546 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -63.14 -46.98 84.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.569 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 57.5 m 47.34 41.95 13.14 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.16 126.66 53.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.922 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -62.18 -39.63 93.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.638 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.82 132.75 10.06 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.22 132.08 10.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.758 0.313 . . . . 0.0 110.378 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 62.3 m -130.82 148.04 52.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.27 63.94 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.611 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.5 113.74 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.578 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -117.09 130.68 56.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.432 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.59 -162.26 0.91 Allowed Glycine 0 CA--C 1.524 0.637 0 O-C-N 124.017 0.823 . . . . 0.0 111.131 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.89 -61.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.592 0.234 . . . . 0.0 111.035 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.22 -97.03 0.72 Allowed Glycine 0 N--CA 1.464 0.537 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.08 108.88 16.26 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -151.28 137.38 18.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 0.0 110.787 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 72.9 m -108.78 133.75 52.42 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.668 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 71' ' ' THR . . . . . 0.422 ' C ' ' OG1' ' F' ' 71' ' ' THR . 30.2 p -73.5 166.26 45.59 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.585 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . 0.403 ' N ' ' OG1' ' F' ' 71' ' ' THR . 42.4 Cg_endo -91.91 108.03 0.25 Allowed 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 121.869 1.713 . . . . 0.0 113.899 -176.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -57.63 140.04 52.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.297 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.82 87.31 1.14 Allowed Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 62.1 80.42 0.23 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.453 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.62 -90.27 0.01 OUTLIER Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 42.1 p -136.93 132.63 34.71 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.018 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.4 99.03 2.87 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.742 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.26 105.84 0.55 Allowed Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.87 97.31 0.21 Allowed Glycine 0 C--N 1.335 0.503 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -82.12 -73.4 0.39 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.07 0.462 . . . . 0.0 110.462 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.14 -58.13 2.38 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.3 137.58 9.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.67 0.272 . . . . 0.0 110.615 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 32.9 t -139.5 97.22 3.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.72 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.12 102.46 8.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.0 110.64 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.76 163.39 35.11 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.007 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 92.8 p -136.64 150.44 48.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.278 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.8 1.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.109 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -169.88 158.51 7.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.469 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -162.83 174.12 12.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.851 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.28 79.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.455 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.74 49.46 0.11 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.606 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -96.32 112.82 24.43 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 122.856 -0.203 . . . . 0.0 111.136 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.07 126.6 36.26 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.799 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.37 108.05 11.78 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.527 0.517 . . . . 0.0 110.089 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.2 25.93 10.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.831 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.68 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -107.63 96.46 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.61 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 42.2 t -73.52 142.08 46.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.572 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.09 -105.28 2.0 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.37 128.53 56.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 110.539 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 42.8 m -133.7 153.04 51.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.92 -167.23 1.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.04 160.32 32.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -127.09 129.28 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.625 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.24 146.16 49.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.8 -53.36 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.183 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -135.07 130.61 35.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.801 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 108.98 78.48 1.06 Allowed Glycine 0 C--O 1.222 -0.615 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.925 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' F' ' 49' ' ' GLY . 10.4 m-85 29.05 71.18 0.06 Allowed 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.16 96.17 0.53 Allowed Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.65 83.91 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.86 0.362 . . . . 0.0 110.192 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -160.85 144.11 13.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.604 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.89 125.81 16.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.592 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -63.23 -46.91 84.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.481 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.33 42.06 13.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 77.5 p -109.3 126.64 53.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -62.09 -39.67 93.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.731 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.73 132.78 10.09 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.27 132.12 10.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.32 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -130.84 147.97 52.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.626 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.57 63.46 2.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.679 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.19 113.47 25.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.593 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.9 130.83 56.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.427 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.02 -161.97 1.02 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.94 -61.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.621 0.248 . . . . 0.0 110.908 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.42 -96.87 0.71 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.14 109.13 16.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -151.46 136.7 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.786 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 74.7 m -108.05 133.03 52.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.028 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 71' ' ' THR . . . . . 0.422 ' OG1' ' C ' ' E' ' 71' ' ' THR . 30.0 p -73.21 166.13 46.46 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . 0.405 ' N ' ' OG1' ' G' ' 71' ' ' THR . 38.9 Cg_endo -90.75 104.01 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 123.017 2.478 . . . . 0.0 114.978 -175.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.08 139.48 41.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.561 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.07 87.58 1.16 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.4 81.94 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.874 0.369 . . . . 0.0 111.154 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.46 -88.37 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 38.1 p -138.03 132.2 31.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.213 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.85 96.13 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.063 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.93 102.93 0.14 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.65 94.02 0.09 OUTLIER Glycine 0 CA--C 1.518 0.274 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -81.0 -72.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.467 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.66 -58.17 2.31 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 47.8 t -160.43 137.42 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.662 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.59 98.19 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.324 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.81 103.36 9.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.494 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.92 163.96 33.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.922 0.391 . . . . 0.0 111.176 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 93.0 p -136.77 150.54 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.307 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.81 176.72 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -170.43 158.27 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.469 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.28 173.71 12.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.789 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.43 80.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.26 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.2 49.97 0.1 Allowed Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.633 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.04 113.14 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.735 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.17 126.48 35.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.748 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.48 107.88 11.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.15 25.95 10.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.676 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -107.58 96.5 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.553 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 41.9 t -73.56 142.03 46.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.53 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.01 -105.38 2.0 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -111.22 128.46 55.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.735 0.303 . . . . 0.0 110.554 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 43.0 m -133.75 153.03 52.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.513 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.9 -167.22 1.15 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.62 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.08 160.37 32.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.17 129.24 47.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -125.24 146.29 49.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.413 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.88 -53.34 2.07 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -135.03 130.86 36.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.845 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 108.81 78.13 1.04 Allowed Glycine 0 C--O 1.223 -0.585 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.033 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' G' ' 49' ' ' GLY . 10.5 m-85 29.45 71.06 0.07 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.1 96.23 0.53 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.61 83.86 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.39 . . . . 0.0 110.258 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.76 144.14 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.92 125.82 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -63.27 -46.91 84.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.461 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m 47.3 42.04 13.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.22 126.69 53.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -62.15 -39.61 93.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.729 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.76 132.77 10.08 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -155.3 132.07 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.726 0.298 . . . . 0.0 110.411 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 62.2 m -130.73 147.99 52.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.56 63.42 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.659 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.11 113.4 25.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.86 130.72 56.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -162.09 0.99 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -61.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.609 0.242 . . . . 0.0 110.927 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.43 -96.84 0.71 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.17 108.96 16.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.752 0.31 . . . . 0.0 110.258 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -151.47 136.71 17.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.758 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 74.3 m -108.13 133.09 52.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 71' ' ' THR . . . . . 0.419 ' OG1' ' C ' ' F' ' 71' ' ' THR . 30.2 p -73.29 166.25 45.51 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.484 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . 0.403 ' N ' ' OG1' ' H' ' 71' ' ' THR . 38.5 Cg_endo -90.75 103.92 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 123.039 2.493 . . . . 0.0 115.001 -175.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.0 139.53 40.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.569 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.02 87.38 1.16 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.3 82.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 111.179 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.56 -88.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 40.3 p -138.21 132.23 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.174 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.86 96.19 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.94 103.01 0.14 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.7 94.1 0.09 OUTLIER Glycine 0 CA--C 1.519 0.326 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -81.19 -72.1 0.44 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.442 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.63 -58.24 2.3 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -160.41 137.47 9.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.627 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.57 98.11 3.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.331 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.77 103.36 9.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.91 163.95 33.53 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.266 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.74 150.56 48.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.236 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.74 1.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.101 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -170.39 158.3 6.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.484 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.29 173.63 13.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.827 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.5 80.69 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.202 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.34 50.14 0.1 Allowed Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.551 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.2 113.15 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.849 0.357 . . . . 0.0 110.715 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.19 126.47 35.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.764 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.55 107.9 11.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.388 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.28 25.78 10.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.723 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.62 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -107.56 96.52 6.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 41.9 t -73.53 142.07 46.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.0 -105.46 2.0 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.14 128.56 55.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.695 0.283 . . . . 0.0 110.535 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 42.7 m -133.75 153.06 51.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.94 -167.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.598 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 87.1 p -73.13 160.37 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.14 129.2 47.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.24 146.24 49.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.422 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.88 -53.26 2.07 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.202 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -135.07 130.8 36.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.763 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 108.9 78.07 1.03 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.038 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' H' ' 49' ' ' GLY . 10.5 m-85 29.36 71.09 0.06 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.09 96.28 0.53 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.58 83.96 0.15 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 110.265 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.84 144.08 13.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.593 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.5 t -142.86 125.84 16.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.563 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.18 -46.96 84.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.503 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 58.4 m 47.35 41.99 13.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.794 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.21 126.7 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.906 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -62.22 -39.63 93.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.658 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.79 10.09 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -155.36 132.06 10.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.307 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 62.1 m -130.76 147.99 52.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.61 63.45 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.24 113.43 25.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.652 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.85 130.79 56.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.93 -162.02 1.0 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.93 -61.85 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.568 0.223 . . . . 0.0 110.92 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.48 -96.88 0.71 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.15 108.97 16.33 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -151.42 136.84 17.7 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.779 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 74.2 m -108.19 133.14 52.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 71' ' ' THR . . . . . 0.417 ' OG1' ' C ' ' G' ' 71' ' ' THR . 30.1 p -73.27 166.17 46.19 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.534 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -90.68 103.95 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.997 2.465 . . . . 0.0 114.95 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.01 139.6 40.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.607 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.99 87.48 1.15 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.38 82.14 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.54 -88.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 39.4 p -138.1 132.2 31.69 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.224 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.88 96.12 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.057 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.84 103.01 0.14 Allowed Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.72 94.07 0.09 OUTLIER Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.18 -72.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.69 -58.12 2.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.43 137.47 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.796 0.332 . . . . 0.0 110.647 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 33.0 t -139.62 98.16 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.362 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.83 103.25 8.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.8 163.95 33.41 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.263 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.8 150.51 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.217 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.85 176.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.104 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 93.8 p -170.4 158.28 6.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.464 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 58.6 m -163.28 173.59 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.51 80.96 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.182 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.46 50.03 0.1 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.582 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.05 113.14 24.92 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.719 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.15 126.5 35.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.753 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 107.88 11.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.2 25.95 10.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.708 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.574 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -107.6 96.46 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 41.6 t -73.63 142.02 46.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.477 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.87 -105.39 1.97 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -111.14 128.69 55.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.716 0.294 . . . . 0.0 110.511 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 43.6 m -133.84 153.07 52.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.481 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -110.79 -167.37 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.633 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 86.7 p -72.99 160.36 32.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -127.2 129.12 47.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.66 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -125.4 145.4 50.07 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.513 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -120.36 -53.85 2.11 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.162 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -134.45 131.07 37.68 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.796 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 108.81 78.19 1.04 Allowed Glycine 0 C--O 1.223 -0.569 0 C-N-CA 120.355 -0.926 . . . . 0.0 111.938 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' I' ' 49' ' ' GLY . 10.5 m-85 29.09 72.82 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.42 96.18 0.63 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 68.52 83.56 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.886 0.374 . . . . 0.0 110.277 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -160.41 144.17 13.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.573 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.95 125.83 16.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.502 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.18 -46.98 84.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 58.3 m 47.45 41.89 13.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.791 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.19 126.76 53.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.393 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -62.26 -39.57 93.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.643 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.71 10.04 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.29 132.08 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.312 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 61.4 m -130.73 148.0 52.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.631 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.55 63.43 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.668 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.18 113.4 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.66 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -116.71 130.81 56.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.01 -161.94 1.01 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.07 -61.65 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.887 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.34 -96.95 0.72 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 46.2 p -117.05 108.79 16.17 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -151.23 136.81 17.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.58 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 74.8 m -108.02 133.08 52.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 71' ' ' THR . . . . . 0.404 ' OG1' ' C ' ' H' ' 71' ' ' THR . 30.8 p -72.47 167.29 34.2 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -91.09 104.76 0.27 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.978 2.452 . . . . 0.0 114.813 -177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -55.66 139.96 42.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.565 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.17 87.49 1.17 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.57 82.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.287 -0.165 . . . . 0.0 110.961 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.58 -88.1 0.01 OUTLIER Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 39.2 p -137.98 132.17 31.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.81 96.18 2.42 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.027 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.14 103.25 0.16 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.62 94.66 0.09 OUTLIER Glycine 0 CA--C 1.521 0.412 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -82.51 -71.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.264 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.64 -58.09 2.33 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 48.1 t -160.43 137.54 9.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.713 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.66 98.1 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.385 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.79 103.27 8.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.42 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.84 163.6 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.2 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 92.6 p -136.43 150.42 48.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.273 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.88 176.35 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.087 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -169.98 158.45 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.517 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 58.6 m -163.38 173.12 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.905 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.18 82.85 0.08 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.69 50.04 0.09 OUTLIER Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.608 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -98.08 113.07 24.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.27 126.46 35.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.5 107.93 11.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.447 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.21 25.91 10.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.671 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.626 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 53.34 89.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.677 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -136.09 123.87 22.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.59 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.67 136.23 13.03 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.8 -166.43 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.555 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.5 p -69.85 159.01 34.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.692 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -177.54 86.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.696 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.6 p -69.8 157.37 37.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.294 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.2 m -129.16 122.63 30.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.817 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -150.59 125.72 9.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.6 m -50.1 -60.9 2.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.26 0.552 . . . . 0.0 110.016 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.402 ' OG ' ' CZ ' ' A' ' 66' ' ' TYR . 10.1 t -131.55 -95.82 0.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.091 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.31 51.74 20.19 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.659 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 48.96 -168.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.455 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.56 -53.0 1.36 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -164.06 -81.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.657 0.265 . . . . 0.0 110.438 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -130.19 126.91 38.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.894 0.378 . . . . 0.0 110.682 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.1 p -103.26 148.81 25.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.245 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -121.21 138.82 54.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.9 m -155.56 141.27 17.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.473 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.7 p -156.65 148.89 23.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.7 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.27 177.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.904 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.35 153.72 25.29 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.88 -40.18 92.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.7 m -91.8 178.75 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.558 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.88 -177.65 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.638 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -58.29 119.69 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.697 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.5 m -126.93 139.21 53.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.438 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.1 -161.86 0.1 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' OG ' ' A' ' 48' ' ' SER . 2.0 m-85 -49.31 -49.38 44.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 0.0 110.888 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.61 -99.85 1.35 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.02 110.91 19.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 0.0 110.219 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.45 7.95 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.802 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.8 m -125.4 120.87 32.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.947 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.99 171.75 9.84 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.767 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -42.96 169.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 123.187 2.591 . . . . 0.0 113.584 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -98.97 -158.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.498 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.68 91.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.412 ' CZ ' ' OG ' ' A' ' 84' ' ' SER . 3.4 t80 -177.63 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.727 0.298 . . . . 0.0 110.889 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.05 -173.07 3.05 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.61 86.85 4.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.727 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.0 p -67.42 158.36 31.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.004 0.43 . . . . 0.0 109.992 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.71 -158.61 4.4 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.74 -80.3 1.42 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -54.08 174.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.853 0.358 . . . . 0.0 110.714 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.69 -36.89 3.29 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 t 73.18 131.11 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.85 0.357 . . . . 0.0 110.687 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.412 ' OG ' ' CZ ' ' A' ' 75' ' ' TYR . 44.1 t -117.39 122.57 44.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.475 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.87 104.59 7.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.436 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.01 174.3 10.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.104 0.478 . . . . 0.0 111.222 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.46 138.22 23.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.924 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.92 -166.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.558 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -165.32 169.61 15.62 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.334 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.67 118.3 22.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.061 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -130.81 101.61 5.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.754 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.64 53.56 0.63 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.49 110.79 23.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.66 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.44 132.44 27.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.834 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.6 m -127.65 128.03 44.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.298 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.3 79.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.593 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 53.35 89.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.656 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -136.13 123.84 22.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.655 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.61 136.24 13.05 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.8 -165.97 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.314 . . . . 0.0 110.488 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 82.4 p -70.15 159.02 34.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.706 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -177.62 86.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.683 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -69.9 157.48 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.317 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.3 m -129.26 122.81 30.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -150.75 125.76 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.471 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.37 -61.25 2.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.029 0.443 . . . . 0.0 109.872 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.404 ' OG ' ' CZ ' ' B' ' 66' ' ' TYR . 9.6 t -131.31 -95.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.03 53.86 13.54 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.475 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.82 -168.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 0.0 110.748 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.91 -53.01 1.32 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.21 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.605 0.24 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 69.6 m -130.0 127.03 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 98.3 p -103.26 148.74 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.286 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -121.21 138.8 54.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 70.0 m -155.53 141.33 18.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.517 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 94.1 p -156.69 148.81 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.709 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.35 177.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.37 153.23 24.47 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.41 -40.15 89.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.571 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -91.79 178.94 5.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.49 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -152.07 -177.71 6.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.626 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.24 119.68 7.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.723 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 91.7 m -126.8 139.34 53.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.429 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.3 -161.77 0.11 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . 0.404 ' CZ ' ' OG ' ' B' ' 48' ' ' SER . 2.0 m-85 -49.5 -49.4 45.91 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.674 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.66 -100.06 1.37 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.55 110.85 19.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 110.175 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.53 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.906 -0.718 . . . . 0.0 111.722 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -125.44 120.84 32.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.857 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.66 171.93 9.65 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.596 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.409 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 69.1 Cg_exo -42.72 170.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 123.258 2.638 . . . . 0.0 113.404 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -100.86 -158.8 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.0 91.83 0.01 OUTLIER Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.412 ' CZ ' ' OG ' ' B' ' 84' ' ' SER . 3.4 t80 -176.99 -41.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.772 0.32 . . . . 0.0 110.725 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.82 -173.05 3.75 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -95.54 86.81 4.55 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.61 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 43.4 p -66.99 158.63 30.44 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.025 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.18 -158.27 4.65 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.6 -80.1 1.41 Allowed Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -54.37 174.07 0.07 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.93 0.395 . . . . 0.0 110.898 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.17 -37.47 3.27 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.85 130.93 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.852 0.358 . . . . 0.0 110.628 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.412 ' OG ' ' CZ ' ' B' ' 75' ' ' TYR . 44.3 t -117.18 122.68 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.85 103.37 6.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.646 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.77 174.54 10.47 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.414 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.41 138.06 23.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.889 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.65 -166.22 0.24 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.702 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -165.36 169.61 15.56 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.509 -0.477 . . . . 0.0 111.28 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.59 118.18 22.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.067 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -131.14 102.06 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.33 54.24 0.62 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -96.64 110.67 23.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.802 0.334 . . . . 0.0 110.674 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.43 132.49 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 66.5 m -127.62 128.13 45.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.361 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.2 79.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.565 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.45 89.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.621 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 44.1 t -136.15 123.78 22.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.677 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.56 136.28 13.09 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.76 -165.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 0.0 110.458 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 82.5 p -70.29 158.98 34.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.74 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -177.52 86.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.706 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 82.7 p -69.81 157.42 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.313 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -129.32 122.81 30.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.802 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -150.71 125.82 9.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.481 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.43 -61.31 2.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 109.888 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' SER . . . . . 0.404 ' OG ' ' CZ ' ' C' ' 66' ' ' TYR . 9.6 t -131.28 -95.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.12 53.81 13.98 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.426 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.86 -168.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.853 0.358 . . . . 0.0 110.819 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.91 -52.98 1.33 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.29 -81.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.618 0.247 . . . . 0.0 110.437 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 70.0 m -130.02 126.93 38.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.954 0.407 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.16 148.72 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.334 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -121.19 138.87 54.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.91 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 69.7 m -155.61 141.33 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.48 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 93.8 p -156.72 148.78 22.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.756 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.26 177.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.27 153.21 24.28 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.33 -40.24 89.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.563 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 66.3 m -91.79 178.88 5.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -152.01 -177.63 6.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.638 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.35 119.77 7.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -126.85 139.49 53.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.431 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.39 -161.7 0.11 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . 0.404 ' CZ ' ' OG ' ' C' ' 48' ' ' SER . 2.0 m-85 -49.53 -49.43 46.09 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.67 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.7 -100.05 1.36 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.59 110.87 19.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.27 171.55 7.86 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.813 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 71.0 m -125.39 120.75 31.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.875 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.6 171.9 9.73 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.619 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' D' ' 72' ' ' PRO . 69.2 Cg_exo -42.63 170.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 123.299 2.666 . . . . 0.0 113.398 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.03 -158.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.92 91.89 0.01 OUTLIER Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . 0.411 ' CZ ' ' OG ' ' C' ' 84' ' ' SER . 3.3 t80 -176.96 -41.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.843 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.92 -173.11 3.82 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.58 86.73 4.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.666 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 43.5 p -66.97 158.75 30.09 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.18 -158.26 4.64 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.67 -80.07 1.41 Allowed Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -54.47 174.02 0.07 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.761 0.315 . . . . 0.0 110.994 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.19 -37.48 3.27 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.97 130.96 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.588 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.411 ' OG ' ' CZ ' ' C' ' 75' ' ' TYR . 44.4 t -117.29 122.52 44.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.72 103.42 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.705 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.8 174.59 10.42 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.4 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.34 138.05 23.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.993 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.68 -166.23 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.68 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.6 p -165.32 169.48 15.77 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.346 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.44 118.22 22.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.114 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -131.18 102.16 5.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.13 54.42 0.62 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.72 110.76 23.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.45 132.47 27.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 66.1 m -127.63 128.05 44.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.23 79.78 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.633 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.579 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.51 89.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -136.22 123.78 22.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.655 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.51 136.17 13.01 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.74 -165.78 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.735 0.303 . . . . 0.0 110.463 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 82.0 p -70.28 159.06 34.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -177.67 86.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 82.7 p -69.94 157.61 37.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.409 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 98.3 m -129.5 122.51 29.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.097 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -150.45 125.64 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.472 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 19.4 m -50.43 -60.95 2.49 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 48' ' ' SER . . . . . 0.405 ' OG ' ' CZ ' ' D' ' 66' ' ' TYR . 9.7 t -131.45 -95.62 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.12 53.93 13.67 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.509 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.82 -168.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.649 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.95 -52.88 1.33 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.3 -81.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -129.97 126.94 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.17 148.79 25.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.343 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -121.26 138.82 54.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.874 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 69.6 m -155.53 141.33 18.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.505 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 93.5 p -156.69 148.82 23.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.736 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.22 177.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.45 153.17 24.5 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.3 -40.26 89.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 110.511 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 66.2 m -91.94 178.77 5.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.489 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.85 -177.6 6.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.39 119.7 7.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.622 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.88 139.33 53.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.53 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -161.68 0.1 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . 0.405 ' CZ ' ' OG ' ' D' ' 48' ' ' SER . 2.1 m-85 -49.51 -49.31 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.729 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.49 -100.02 1.38 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.55 110.67 19.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.16 171.59 7.95 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.723 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 71.2 m -125.46 120.91 32.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.869 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.79 171.97 9.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.531 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 69.7 Cg_exo -42.69 170.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 123.203 2.602 . . . . 0.0 113.432 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.04 -158.78 0.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.98 91.73 0.01 OUTLIER Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . 0.412 ' CZ ' ' OG ' ' D' ' 84' ' ' SER . 3.3 t80 -176.84 -41.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 110.784 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.89 -173.16 3.78 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -95.52 86.82 4.56 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.64 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 43.3 p -66.99 158.64 30.43 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.2 4.65 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.55 -80.08 1.41 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -54.39 174.25 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.951 0.405 . . . . 0.0 110.915 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.96 -37.51 3.25 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.96 131.0 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.621 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 84' ' ' SER . . . . . 0.412 ' OG ' ' CZ ' ' D' ' 75' ' ' TYR . 44.2 t -117.21 122.6 44.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.541 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.78 103.35 6.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.773 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.73 174.43 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.416 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.22 138.07 23.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.956 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.66 -166.33 0.25 Allowed 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.672 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -165.19 169.52 15.95 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.227 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.48 118.21 22.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.107 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -131.36 101.99 5.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.928 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.33 54.36 0.62 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.67 110.67 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.38 132.45 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 65.7 m -127.57 127.97 44.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.414 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.39 79.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.565 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.24 89.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.622 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 43.9 t -136.42 123.77 21.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.54 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.55 136.1 12.95 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.72 -165.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 110.568 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 81.8 p -70.2 158.92 34.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.791 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -177.53 86.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.646 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 82.9 p -69.94 157.47 37.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.386 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -129.26 122.42 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -150.06 126.7 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.632 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -52.6 -60.03 3.74 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.216 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 48' ' ' SER . . . . . 0.402 ' OG ' ' CZ ' ' E' ' 66' ' ' TYR . 9.4 t -130.46 -95.01 0.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.722 177.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 50.59 49.37 40.16 Favored Glycine 0 C--N 1.343 0.931 0 C-N-CA 119.72 -1.229 . . . . 0.0 112.059 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.28 -168.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.377 0.608 . . . . 0.0 110.247 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.54 -52.82 1.28 Allowed Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -163.9 -83.99 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -129.21 127.29 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.314 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -103.86 148.5 26.07 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.967 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.03 138.87 53.96 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.857 0.361 . . . . 0.0 110.984 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 69.2 m -155.53 141.23 17.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.652 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 94.7 p -156.69 148.82 23.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.72 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.32 177.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.36 153.24 24.48 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.45 -40.18 90.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.798 0.332 . . . . 0.0 110.492 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.86 178.87 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.9 -177.53 6.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.681 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.24 119.19 6.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 92.0 m -126.53 139.25 53.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.88 -162.23 0.1 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' OG ' ' E' ' 48' ' ' SER . 2.0 m-85 -48.87 -50.32 35.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.669 0.271 . . . . 0.0 110.309 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.12 -100.16 1.34 Allowed Glycine 0 N--CA 1.463 0.466 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.59 110.17 18.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.7 0.286 . . . . 0.0 110.267 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -168.41 171.81 8.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.803 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 70.5 m -125.7 121.77 34.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.795 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.56 171.9 9.33 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.554 1.159 . . . . 0.0 110.162 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 70.7 Cg_exo -43.12 171.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.501 1.963 0 C-N-CA 123.151 2.568 . . . . 0.0 113.286 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -100.83 -159.4 0.73 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.816 -1.083 . . . . 0.0 108.237 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.24 90.71 0.01 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . 0.412 ' CZ ' ' OG ' ' E' ' 84' ' ' SER . 3.3 t80 -176.61 -40.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.623 0.249 . . . . 0.0 111.157 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.53 -173.25 3.41 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -94.97 86.01 4.52 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.158 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 44.7 p -66.59 158.5 29.67 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -157.66 4.34 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.86 -80.43 1.42 Allowed Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -54.11 174.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.669 0.271 . . . . 0.0 111.537 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.06 -38.02 3.17 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.705 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t 74.04 131.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.026 0.441 . . . . 0.0 110.307 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 84' ' ' SER . . . . . 0.412 ' OG ' ' CZ ' ' E' ' 75' ' ' TYR . 43.9 t -117.8 121.88 41.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.407 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.07 102.34 6.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.609 0.719 . . . . 0.0 111.284 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.7 173.67 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.261 -0.899 . . . . 0.0 110.981 -177.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.24 138.01 23.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.835 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.47 -166.45 0.26 Allowed 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 121.872 0.844 . . . . 0.0 110.866 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p -164.13 171.01 15.64 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.837 -1.165 . . . . 0.0 111.458 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.87 117.69 21.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.598 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -130.28 100.59 5.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.261 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 109.11 53.99 0.59 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -96.11 110.64 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.57 0.224 . . . . 0.0 110.75 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.42 132.63 28.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.818 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 66.1 m -127.56 127.94 44.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.23 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.41 79.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.638 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.579 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.34 89.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.684 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 44.2 t -136.15 123.77 22.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.624 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.66 136.46 13.22 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.89 -165.96 1.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.661 0.267 . . . . 0.0 110.704 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 82.5 p -70.23 158.95 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.749 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -177.54 86.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 82.9 p -69.85 157.44 37.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -129.2 123.0 30.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -150.83 125.92 9.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.533 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 19.9 m -50.33 -61.54 2.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.059 0.457 . . . . 0.0 109.847 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 48' ' ' SER . . . . . 0.404 ' OG ' ' CZ ' ' F' ' 66' ' ' TYR . 9.5 t -131.15 -95.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.17 53.87 13.99 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.467 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.68 -168.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.94 -53.08 1.31 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.23 -81.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.634 0.254 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -130.0 126.87 38.79 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 98.7 p -103.2 148.77 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.312 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.19 138.78 54.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.89 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 69.7 m -155.54 141.29 18.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.52 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 94.2 p -156.68 148.85 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.705 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.19 177.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.29 153.24 24.36 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.36 -40.28 90.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.475 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 66.5 m -91.87 178.92 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.514 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.94 -177.6 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.732 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.45 119.75 7.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.645 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.75 139.56 53.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.3 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.48 -161.57 0.11 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . 0.404 ' CZ ' ' OG ' ' F' ' 48' ' ' SER . 2.1 m-85 -49.42 -49.67 44.0 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.726 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.84 -100.04 1.35 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.52 110.95 20.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.27 171.73 7.74 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.934 -0.707 . . . . 0.0 111.764 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 70.8 m -125.49 120.68 31.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.949 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.55 172.01 9.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.628 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 67.8 Cg_exo -42.77 170.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 123.301 2.667 . . . . 0.0 113.346 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -101.04 -158.88 0.7 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.94 91.82 0.01 OUTLIER Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . 0.412 ' CZ ' ' OG ' ' F' ' 84' ' ' SER . 3.4 t80 -176.85 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.715 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.95 -173.07 3.86 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -95.64 86.8 4.52 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.704 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 43.5 p -66.96 158.73 30.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.04 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.11 -158.23 4.56 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.69 -80.09 1.41 Allowed Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -54.5 173.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.947 0.403 . . . . 0.0 110.879 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.22 -37.37 3.28 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.85 130.89 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.699 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 84' ' ' SER . . . . . 0.412 ' OG ' ' CZ ' ' F' ' 75' ' ' TYR . 44.4 t -117.19 122.69 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.86 103.3 6.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.706 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.64 174.67 10.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.448 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.39 137.98 23.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.908 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.52 -166.28 0.25 Allowed 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.746 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -165.4 169.5 15.63 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.305 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.57 118.12 22.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.157 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -130.99 102.14 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.668 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.17 54.36 0.62 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.68 110.7 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.641 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.48 132.47 27.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.755 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 66.2 m -127.58 128.03 44.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.436 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.38 79.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.656 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.579 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.39 89.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.653 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 44.1 t -136.12 123.84 22.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.59 136.35 13.14 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.81 -165.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 110.488 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 82.2 p -70.19 158.98 34.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.78 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -177.55 86.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.643 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -69.91 157.38 37.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.34 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 96.1 m -129.15 122.77 30.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -150.66 125.8 9.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.481 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.49 -61.29 2.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 109.869 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 48' ' ' SER . . . . . 0.402 ' OG ' ' CZ ' ' G' ' 66' ' ' TYR . 9.6 t -131.26 -95.56 0.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.13 53.87 13.85 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.452 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.81 -168.37 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.825 0.345 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.15 -52.98 1.3 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.22 -81.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 110.442 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -129.91 127.04 39.34 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -103.26 148.69 25.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.321 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.11 138.79 54.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 69.5 m -155.48 141.29 18.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.538 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -156.64 148.89 23.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.705 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.2 177.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.976 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.3 153.26 24.41 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.41 -40.13 89.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.517 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.94 178.86 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.511 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.9 -177.55 6.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.703 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.48 119.71 7.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.78 139.42 53.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.392 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -161.76 0.11 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' OG ' ' G' ' 48' ' ' SER . 2.0 m-85 -49.38 -49.48 44.38 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.705 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.66 -100.14 1.38 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.53 110.86 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.693 0.282 . . . . 0.0 110.242 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.63 7.84 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.782 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 71.2 m -125.51 120.72 31.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.869 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.58 172.01 9.53 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.562 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . 0.415 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 68.6 Cg_exo -42.8 170.8 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 123.322 2.682 . . . . 0.0 113.319 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -100.96 -158.88 0.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.82 91.75 0.01 OUTLIER Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . 0.411 ' CZ ' ' OG ' ' G' ' 84' ' ' SER . 3.3 t80 -176.89 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.806 0.336 . . . . 0.0 110.804 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.93 -173.09 3.84 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.5 86.72 4.55 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.673 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 43.5 p -66.95 158.72 30.11 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.25 4.68 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.65 -80.04 1.41 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -54.53 174.12 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.22 -37.65 3.26 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 74.0 130.95 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.815 0.341 . . . . 0.0 110.639 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 84' ' ' SER . . . . . 0.411 ' OG ' ' CZ ' ' G' ' 75' ' ' TYR . 44.4 t -117.26 122.57 44.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.74 103.27 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.67 174.62 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.115 0.483 . . . . 0.0 111.398 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.35 137.99 23.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.908 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.61 -166.27 0.25 Allowed 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.666 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -165.31 169.5 15.77 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.33 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.54 118.19 22.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.15 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -131.14 102.11 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.808 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.17 54.54 0.62 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.85 110.69 23.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.6 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -140.45 132.54 27.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.751 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 66.0 m -127.63 128.01 44.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.398 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.38 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.674 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.615 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.38 89.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.635 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 43.9 t -136.14 123.82 22.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.638 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.56 136.33 13.13 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.81 -165.88 1.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 0.0 110.555 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 82.1 p -70.25 159.0 34.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.765 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -177.58 86.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -69.86 157.42 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.368 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 97.4 m -129.23 122.72 30.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -150.59 125.82 10.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.518 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.48 -61.25 2.3 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.562 -0.455 . . . . 0.0 109.858 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 48' ' ' SER . . . . . 0.401 ' OG ' ' CZ ' ' H' ' 66' ' ' TYR . 9.4 t -131.3 -95.53 0.36 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.02 53.79 13.68 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.51 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.91 -168.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.947 0.403 . . . . 0.0 110.721 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.1 -52.93 1.31 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -164.28 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.607 0.241 . . . . 0.0 110.396 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -129.99 127.01 39.13 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.23 148.76 25.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.257 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -121.21 138.74 54.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 69.5 m -155.5 141.33 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.548 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -156.62 148.83 23.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.712 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.28 177.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.27 153.23 24.31 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.35 -40.28 90.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.496 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.8 178.81 5.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.88 -177.57 6.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.4 119.66 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.73 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 92.8 m -126.77 139.57 53.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.371 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.43 -161.52 0.1 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . 0.401 ' CZ ' ' OG ' ' H' ' 48' ' ' SER . 2.0 m-85 -49.67 -49.41 47.58 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.626 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.7 -100.17 1.38 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.48 110.93 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.3 171.65 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.717 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 70.9 m -125.48 120.84 32.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.834 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.68 171.98 9.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.552 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . 0.413 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 69.0 Cg_exo -42.68 170.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 123.231 2.621 . . . . 0.0 113.394 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.03 -158.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.97 91.85 0.01 OUTLIER Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . 0.411 ' CZ ' ' OG ' ' H' ' 84' ' ' SER . 3.4 t80 -176.85 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.683 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.1 -173.09 4.02 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.63 86.72 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.627 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 43.5 p -66.85 158.81 29.61 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.3 -158.23 4.75 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.57 -80.19 1.41 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -54.39 174.06 0.07 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.17 -37.5 3.27 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t 73.84 130.98 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.88 0.372 . . . . 0.0 110.643 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 84' ' ' SER . . . . . 0.411 ' OG ' ' CZ ' ' H' ' 75' ' ' TYR . 44.4 t -117.28 122.63 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.547 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.83 103.35 6.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.678 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.75 174.51 10.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.073 0.463 . . . . 0.0 111.352 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -147.25 138.0 23.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.987 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.67 -166.41 0.25 Allowed 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.685 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -165.19 169.53 15.93 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.272 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.42 118.15 22.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.156 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -131.2 102.17 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.15 54.57 0.62 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.79 110.6 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.651 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.33 132.5 28.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 66.4 m -127.66 128.07 44.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.389 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.35 79.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.613 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 53.3 89.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.698 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 44.1 t -136.09 123.89 22.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.637 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.72 136.21 13.01 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -165.42 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 110.616 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 82.2 p -70.54 159.07 34.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.778 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -177.73 86.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.671 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -69.82 157.39 37.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.341 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 99.8 m -129.39 122.8 30.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.122 0.487 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -150.5 126.73 10.62 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.474 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 19.2 m -51.7 -61.41 2.27 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 48' ' ' SER . . . . . 0.4 ' OG ' ' CZ ' ' I' ' 66' ' ' TYR . 8.8 t -130.9 -94.58 0.38 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.23 53.99 10.63 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.592 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.08 -167.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 0.0 110.697 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.73 -53.33 1.21 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -163.9 -81.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.684 0.278 . . . . 0.0 110.427 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 70.1 m -129.81 127.45 40.34 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.775 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -103.71 148.67 25.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.221 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -121.22 138.83 54.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m -155.51 141.32 18.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.489 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 94.4 p -156.66 148.83 23.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.635 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 54.17 177.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.915 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.22 153.16 24.11 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.42 -40.01 89.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -92.04 178.54 5.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.69 -177.59 6.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.4 119.73 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 92.8 m -126.61 139.71 52.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.46 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.67 -161.39 0.11 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . 0.4 ' CZ ' ' OG ' ' I' ' 48' ' ' SER . 2.1 m-85 -49.78 -49.49 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.525 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.91 -100.35 1.38 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.397 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.56 110.84 19.81 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.29 171.56 7.82 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.525 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -125.19 121.38 33.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.784 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.99 171.72 9.9 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.439 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -43.22 171.52 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 123.14 2.56 . . . . 0.0 113.224 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.06 -158.56 0.68 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.0 91.96 0.01 OUTLIER Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . 0.408 ' CZ ' ' OG ' ' I' ' 84' ' ' SER . 3.4 t80 -176.4 -43.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.91 0.386 . . . . 0.0 110.567 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.98 -172.78 5.28 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -95.91 86.53 4.36 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 44.1 p -66.53 159.22 27.78 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.63 -158.09 4.99 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.56 -79.64 1.4 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -55.05 173.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 111.043 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.38 -37.3 3.3 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.6 t 73.62 131.11 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.495 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 84' ' ' SER . . . . . 0.408 ' OG ' ' CZ ' ' I' ' 75' ' ' TYR . 44.4 t -117.39 122.68 44.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.9 103.4 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.441 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.74 174.32 10.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.07 0.462 . . . . 0.0 111.267 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.05 137.91 23.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.938 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -174.88 -167.78 0.31 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.697 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -163.9 169.84 17.58 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.445 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.39 117.98 22.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.23 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -131.48 102.49 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.251 0.548 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 107.91 55.02 0.62 Allowed Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.181 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -96.73 110.64 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.676 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.59 132.52 27.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.811 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 66.3 m -127.57 127.99 44.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.402 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.33 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.623 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.528 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.1 97.06 6.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.524 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -80.65 144.6 32.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.41 -154.64 23.24 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -127.64 155.23 44.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -113.01 18.27 18.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.071 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.77 -167.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.731 0.3 . . . . 0.0 110.638 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.76 156.97 23.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.984 0.421 . . . . 0.0 111.087 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -136.95 130.9 32.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.354 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -149.69 128.42 12.45 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.406 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.1 m -52.06 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.391 -0.523 . . . . 0.0 109.999 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.0 p -130.81 -98.38 0.33 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.183 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.43 53.78 6.74 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.66 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 51.32 -170.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.233 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.19 -54.61 1.09 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.18 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.853 0.359 . . . . 0.0 110.625 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.56 152.81 25.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.381 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -135.97 133.46 37.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.454 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.65 151.03 39.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.688 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.79 -162.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.566 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -73.23 170.38 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.71 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.71 19.13 11.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.68 -90.62 0.09 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.68 135.2 48.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.9 p -158.3 179.77 8.84 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.336 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -124.25 99.48 6.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.505 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -88.83 107.53 19.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.319 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.5 m -124.05 140.94 52.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.147 0.499 . . . . 0.0 111.248 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.8 -158.72 0.05 OUTLIER Glycine 0 CA--C 1.526 0.764 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -83.91 43.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.4 -108.71 0.21 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.8 p -134.45 125.05 26.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -147.88 164.45 33.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.216 0.531 . . . . 0.0 111.382 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -122.99 115.13 21.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.689 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.45 161.18 40.43 Favored Pre-proline 0 C--N 1.326 -0.418 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.074 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -28.62 105.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 124.214 3.276 . . . . 0.0 114.84 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -62.64 111.95 2.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.731 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.73 104.61 0.47 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 69.07 94.48 0.07 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.226 0.536 . . . . 0.0 111.263 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.24 -90.21 0.49 Allowed Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.216 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -100.55 149.74 23.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.9 0.381 . . . . 0.0 111.148 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.423 ' OG1' ' CZ ' ' B' ' 75' ' ' TYR . 45.2 m -111.37 111.2 22.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.21 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.81 101.69 0.85 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.18 100.71 0.2 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -71.43 132.5 44.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.885 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.17 -45.04 0.75 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.18 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.838 0.351 . . . . 0.0 110.39 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.3 t -104.71 -62.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.224 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.8 91.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.76 139.68 25.3 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.3 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.5 p -141.03 147.18 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.328 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.23 -177.76 1.91 Allowed 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.057 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -144.51 160.32 41.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.668 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.6 t -138.44 134.11 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -146.78 90.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.975 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.24 60.44 0.2 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.701 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -97.6 104.85 16.91 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.82 141.38 38.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.109 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.4 130.37 21.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.52 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.7 t 54.77 72.93 0.43 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.545 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.01 97.02 6.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -80.64 144.57 32.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.5 -154.65 23.44 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -127.49 155.11 44.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.353 . . . . 0.0 110.91 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.4 m -112.97 18.43 18.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.77 -167.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.746 0.308 . . . . 0.0 110.691 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.81 157.01 23.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.402 . . . . 0.0 111.205 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -136.94 130.93 32.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.417 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.7 128.37 12.41 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.759 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 31.7 m -52.29 -63.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.892 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.6 p -130.56 -98.35 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.09 55.62 5.63 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.41 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.46 -170.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.218 0.509 . . . . 0.0 110.548 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.26 -54.61 1.08 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.16 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 110.615 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 97.1 p -110.61 152.94 25.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.376 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -136.0 133.37 37.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.473 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.68 151.0 39.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.83 -162.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.481 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.21 170.62 14.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.676 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.97 19.15 11.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.78 -90.39 0.09 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.78 135.2 48.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 89.5 p -158.25 -179.79 8.43 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.333 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.62 99.48 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.471 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.93 107.58 19.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -123.85 141.12 52.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.18 -158.46 0.05 OUTLIER Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.07 44.59 1.02 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 122.804 -0.233 . . . . 0.0 111.427 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.7 -108.62 0.18 Allowed Glycine 0 C--N 1.337 0.597 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.41 125.08 26.78 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.84 164.85 32.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.379 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -123.3 115.16 21.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.681 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.48 161.04 40.73 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.011 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -28.6 103.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 124.482 3.455 . . . . 0.0 115.054 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -60.28 112.1 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.323 0.389 . . . . 0.0 110.142 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.51 104.84 0.45 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.423 ' CZ ' ' OG1' ' A' ' 78' ' ' THR . 1.0 OUTLIER 69.33 94.36 0.07 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 111.184 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.16 -90.17 0.49 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -100.35 149.87 23.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.873 0.368 . . . . 0.0 111.079 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.425 ' OG1' ' CZ ' ' C' ' 75' ' ' TYR . 45.6 m -111.25 111.05 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.272 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.57 101.69 0.86 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.2 100.92 0.2 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.47 132.62 45.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.017 0.436 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.17 -45.0 0.75 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.45 132.18 0.02 OUTLIER 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.709 0.29 . . . . 0.0 110.354 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.78 -63.03 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.143 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 50.0 91.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.7 139.75 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.335 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 90.8 p -140.96 147.22 38.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.412 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.2 -177.71 1.91 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.123 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 66.8 m -144.53 160.29 41.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.666 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.4 134.0 33.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -147.06 90.8 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.973 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.09 60.91 0.2 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.684 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.58 104.74 16.8 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.318 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.83 141.62 38.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.116 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.74 130.35 21.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.462 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 40.8 t 54.87 72.94 0.44 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.565 179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.04 96.89 6.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.585 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -80.6 144.62 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.595 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.48 -154.75 23.61 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -127.41 155.13 44.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 69.2 m -112.96 18.45 18.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.68 -167.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.763 0.316 . . . . 0.0 110.656 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 85.0 p -82.88 156.97 23.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.0 0.429 . . . . 0.0 111.2 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -136.94 130.96 32.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.406 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.72 128.45 12.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.762 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 31.9 m -52.27 -63.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.85 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 35.5 p -130.5 -98.26 0.34 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.15 55.44 5.75 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.464 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.69 -170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.489 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.29 -54.63 1.08 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.25 -76.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.626 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 97.5 p -110.59 152.94 25.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.4 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -136.06 133.42 37.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.412 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.7 150.93 39.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.738 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.73 -162.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.505 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.21 170.69 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.676 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -96.03 19.21 11.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.79 -90.47 0.09 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -129.82 135.18 48.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.19 -179.81 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.363 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.6 99.41 6.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.478 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -88.8 107.44 18.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.41 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -123.72 141.03 52.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.214 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.26 -158.41 0.05 OUTLIER Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.06 44.74 1.03 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.358 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.59 -108.59 0.18 Allowed Glycine 0 C--N 1.336 0.578 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -134.46 125.13 26.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.77 164.89 32.19 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.334 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -123.28 115.03 21.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.65 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 160.95 41.07 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.101 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -28.5 102.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 124.503 3.469 . . . . 0.0 115.15 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.05 112.27 1.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.484 0.49 . . . . 0.0 110.162 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.38 104.87 0.44 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . 0.425 ' CZ ' ' OG1' ' B' ' 78' ' ' THR . 1.0 OUTLIER 69.24 94.42 0.07 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.948 0.404 . . . . 0.0 111.182 179.765 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.12 -90.21 0.49 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 94.3 p -100.3 149.82 23.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.91 0.386 . . . . 0.0 111.104 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.425 ' OG1' ' CZ ' ' D' ' 75' ' ' TYR . 48.3 m -111.27 111.17 22.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.198 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.57 101.76 0.87 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.17 100.87 0.2 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -71.52 132.71 45.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.133 0.492 . . . . 0.0 110.828 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.09 -44.89 0.76 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.32 132.17 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.806 0.336 . . . . 0.0 110.395 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.75 -62.98 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.206 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.98 91.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.778 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.72 139.82 25.45 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 91.0 p -141.01 147.11 38.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.42 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.12 -177.77 1.95 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.107 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 67.0 m -144.43 160.31 41.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.648 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.28 134.01 33.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.51 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -147.21 90.92 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.95 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.08 60.93 0.2 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.708 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.6 104.69 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.302 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.78 141.64 38.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.076 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.67 130.37 21.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.87 72.88 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.599 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.594 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.05 97.06 6.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.503 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 68.3 m -80.73 144.66 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.57 -154.76 23.8 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -127.44 155.18 44.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 69.3 m -112.97 18.4 18.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.078 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.72 -167.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.775 0.321 . . . . 0.0 110.585 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.82 157.06 23.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -136.99 130.89 32.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.442 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.67 128.3 12.38 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.719 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 31.8 m -52.18 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.899 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 35.7 p -130.54 -98.23 0.33 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.13 55.43 5.74 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.439 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.55 -170.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.534 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.15 -54.6 1.09 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.26 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.627 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 97.0 p -110.52 152.9 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.377 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -136.01 133.47 37.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.475 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.78 150.89 39.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.764 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 -162.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.459 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -73.12 170.62 14.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.643 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.96 19.12 12.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.8 -90.41 0.09 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.85 135.13 48.03 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.21 -179.81 8.46 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.283 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -124.61 99.42 6.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.479 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.48 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.36 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.5 m -123.7 141.09 52.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.16 -158.48 0.05 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.05 44.85 1.04 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 122.755 -0.262 . . . . 0.0 111.308 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.57 -108.57 0.18 Allowed Glycine 0 C--N 1.336 0.554 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -134.55 125.16 26.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.83 164.92 32.17 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.37 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -123.28 115.1 21.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.677 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.54 161.07 40.47 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.003 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -28.58 102.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 124.511 3.474 . . . . 0.0 115.13 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.03 112.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.364 0.415 . . . . 0.0 110.16 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.27 104.95 0.43 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . 0.425 ' CZ ' ' OG1' ' C' ' 78' ' ' THR . 1.0 OUTLIER 69.25 94.3 0.07 Allowed 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.964 0.412 . . . . 0.0 111.218 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.94 -90.23 0.47 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 93.8 p -100.41 149.88 23.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.919 0.39 . . . . 0.0 111.05 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 78' ' ' THR . . . . . 0.429 ' OG1' ' CZ ' ' E' ' 75' ' ' TYR . 45.7 m -111.14 111.09 21.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.324 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.56 101.72 0.86 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.18 100.87 0.2 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.43 132.61 45.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.129 0.49 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.18 -44.94 0.75 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.41 132.19 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.735 0.302 . . . . 0.0 110.37 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 17.4 t -104.78 -62.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.218 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.9 91.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.79 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 28.6 t -146.65 139.74 25.48 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.381 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 91.7 p -141.02 147.09 38.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.13 -177.81 1.95 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.947 0.403 . . . . 0.0 111.084 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 66.9 m -144.4 160.35 41.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.641 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.25 133.99 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -147.13 90.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.012 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.02 60.93 0.2 Allowed Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.752 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.52 104.61 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.279 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.78 141.66 38.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.72 130.29 21.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.495 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.87 72.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.571 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.07 96.54 6.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.646 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 67.3 m -80.28 143.81 33.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.675 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.96 -154.59 22.2 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -127.59 155.07 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.973 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 69.6 m -112.85 18.37 18.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.82 -167.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.698 0.285 . . . . 0.0 110.656 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -82.82 157.05 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.065 0.459 . . . . 0.0 111.13 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -136.93 130.89 32.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.35 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -149.84 129.21 12.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.765 0.793 . . . . 0.0 110.856 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 23.7 m -55.19 -60.87 2.79 Favored 'General case' 0 CA--C 1.52 -0.202 0 O-C-N 121.195 -0.941 . . . . 0.0 110.133 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -130.57 -97.53 0.34 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.837 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.28 49.75 18.71 Favored Glycine 0 C--N 1.348 1.235 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.257 175.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 52.32 -170.42 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 117.419 0.61 . . . . 0.0 110.112 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.02 -54.13 1.06 Allowed Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -161.83 -79.41 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.992 0.425 . . . . 0.0 109.86 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 95.1 p -109.81 152.52 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.802 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -135.94 133.4 37.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.418 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.69 150.95 39.52 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.905 0.383 . . . . 0.0 110.724 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.7 -162.76 0.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.16 170.59 14.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.631 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.87 19.13 11.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.894 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.81 -90.44 0.09 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.82 135.24 48.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.25 -179.88 8.52 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.344 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.57 99.48 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.455 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.49 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.353 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -123.68 140.76 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.969 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.51 -161.7 0.05 OUTLIER Glycine 0 CA--C 1.526 0.753 0 O-C-N 124.284 0.99 . . . . 0.0 111.515 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -82.88 45.92 1.05 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.985 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.02 -108.61 0.17 Allowed Glycine 0 N--CA 1.472 1.034 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.91 124.69 25.37 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.934 0.873 . . . . 0.0 109.554 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.94 164.56 33.38 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.193 -0.942 . . . . 0.0 111.139 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 66.6 m -123.48 116.4 23.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.4 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 161.21 38.87 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.023 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -31.89 107.94 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 123.457 2.772 . . . . 0.0 114.153 -176.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -63.04 114.17 3.54 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.527 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.79 103.79 0.39 Allowed Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . 0.429 ' CZ ' ' OG1' ' D' ' 78' ' ' THR . 0.9 OUTLIER 71.15 91.91 0.09 Allowed 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.61 179.151 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.14 -89.81 0.43 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 94.4 p -100.58 149.53 23.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.957 0.408 . . . . 0.0 111.06 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 78' ' ' THR . . . . . 0.425 ' OG1' ' CZ ' ' F' ' 75' ' ' TYR . 41.6 m -110.75 110.45 21.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.541 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.39 101.77 0.87 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.1 100.36 0.2 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -71.26 132.13 44.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.08 0.467 . . . . 0.0 110.927 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.54 -43.4 0.8 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 169.39 132.57 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.246 0.546 . . . . 0.0 110.115 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 18.8 t -105.07 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.71 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 50.04 91.17 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.765 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.51 139.67 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.278 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -140.99 147.1 38.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.446 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.24 -177.74 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.002 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 67.1 m -144.13 160.68 40.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.5 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 2.6 t -138.32 133.9 33.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.881 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -146.46 89.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.429 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.77 60.56 0.19 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.681 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -96.23 104.56 16.53 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.191 -0.203 . . . . 0.0 110.646 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.79 141.41 38.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.046 0.45 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.98 130.43 22.48 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.469 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.98 72.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.666 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.575 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.09 96.95 6.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 68.3 m -80.58 144.6 32.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.51 -154.72 23.6 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -127.47 155.09 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 69.3 m -112.92 18.34 18.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.84 -167.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.794 0.33 . . . . 0.0 110.587 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.85 156.96 23.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -137.01 131.08 32.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.426 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.82 128.45 12.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.765 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m -52.19 -63.39 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.896 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 35.3 p -130.56 -98.28 0.33 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.24 55.45 5.82 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.475 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.57 -170.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.48 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.35 -54.63 1.07 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.21 -76.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.648 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 97.8 p -110.5 152.82 25.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.407 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -135.95 133.45 37.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.473 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.79 150.9 39.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.69 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 -162.74 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.509 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.13 170.72 14.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.709 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -96.03 19.18 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.886 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.79 -90.43 0.09 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.82 135.17 48.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 89.4 p -158.15 -179.76 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.27 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.66 99.56 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.87 107.46 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.355 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -123.72 141.21 52.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -158.34 0.05 OUTLIER Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.13 44.92 1.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.377 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.54 -108.52 0.18 Allowed Glycine 0 C--N 1.335 0.506 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -134.6 125.27 26.87 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.91 164.86 32.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.371 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -123.27 115.13 21.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.738 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.57 161.02 40.55 Favored Pre-proline 0 C--N 1.327 -0.376 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.042 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -28.44 102.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 124.537 3.491 . . . . 0.0 115.127 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.12 112.27 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.395 0.434 . . . . 0.0 110.178 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.22 105.06 0.42 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . 0.425 ' CZ ' ' OG1' ' E' ' 78' ' ' THR . 1.0 OUTLIER 69.25 94.44 0.07 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.968 0.413 . . . . 0.0 111.138 179.741 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.11 -90.25 0.48 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 94.1 p -100.35 149.89 23.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.081 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 78' ' ' THR . . . . . 0.428 ' OG1' ' CZ ' ' G' ' 75' ' ' TYR . 47.6 m -111.25 111.11 21.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.52 101.65 0.86 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.22 100.94 0.2 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.5 132.66 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.987 0.423 . . . . 0.0 110.921 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.1 -44.78 0.76 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.13 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.693 0.282 . . . . 0.0 110.396 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -104.77 -62.84 1.28 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.189 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 49.83 91.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.68 139.8 25.49 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.368 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -141.03 147.05 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.473 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.16 -177.84 1.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.032 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 66.8 m -144.4 160.35 41.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.589 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.31 134.0 33.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -147.11 90.9 1.93 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 122.98 60.9 0.2 Allowed Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.766 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.58 104.72 16.77 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.293 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.85 141.62 38.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.877 0.37 . . . . 0.0 111.024 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.66 130.31 21.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.468 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.86 72.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.534 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.63 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.08 97.06 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -80.68 144.6 32.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.57 -154.78 23.85 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -127.36 155.17 44.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 69.5 m -112.99 18.44 18.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.041 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.68 -167.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.73 0.3 . . . . 0.0 110.624 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.84 156.99 23.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.215 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 93.2 m -136.93 130.91 32.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.416 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.66 128.41 12.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.715 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 31.5 m -52.26 -63.32 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.889 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 35.4 p -130.55 -98.16 0.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.05 55.57 5.62 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.476 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.55 -170.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.588 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.25 -54.7 1.08 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -162.17 -76.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.311 . . . . 0.0 110.671 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 97.3 p -110.52 152.89 25.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.358 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 43.7 t -135.99 133.45 37.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.482 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.69 150.97 39.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.74 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.8 -162.74 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.509 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.16 170.66 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.678 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -96.0 19.2 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.821 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.82 -90.52 0.09 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.75 135.25 48.23 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 89.7 p -158.21 -179.81 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.395 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.66 99.41 6.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.484 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.83 107.48 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.392 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -123.7 141.21 52.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.145 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.29 -158.38 0.05 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.18 44.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.418 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.51 -108.53 0.18 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -134.52 125.01 26.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.69 164.96 31.91 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.362 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -123.33 115.1 21.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.675 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.46 160.97 41.0 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.08 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -28.47 102.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.2 0 C-N-CA 124.521 3.481 . . . . 0.0 115.156 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -59.97 112.19 1.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.417 0.448 . . . . 0.0 110.201 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.3 104.96 0.43 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . 0.428 ' CZ ' ' OG1' ' F' ' 78' ' ' THR . 1.0 OUTLIER 69.26 94.47 0.07 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.933 0.396 . . . . 0.0 111.151 179.782 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.1 -90.25 0.48 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 93.8 p -100.39 149.81 23.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 0.0 111.054 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 78' ' ' THR . . . . . 0.43 ' OG1' ' CZ ' ' H' ' 75' ' ' TYR . 47.0 m -111.19 111.11 21.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.313 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.53 101.74 0.87 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.22 100.84 0.2 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -71.4 132.64 45.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.049 0.452 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.13 -44.93 0.75 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.37 132.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.795 0.331 . . . . 0.0 110.43 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 17.7 t -104.83 -62.83 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.196 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.92 91.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.72 139.74 25.39 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.311 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -140.99 147.19 38.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.448 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.18 -177.77 1.92 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.047 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 67.1 m -144.49 160.37 41.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.29 133.89 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -147.08 90.86 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.049 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.02 60.93 0.2 Allowed Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.778 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.56 104.75 16.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.276 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.83 141.67 38.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.881 0.372 . . . . 0.0 111.046 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.67 130.35 21.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 40.8 t 54.83 72.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.572 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.562 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.05 97.05 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -80.69 144.62 32.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.555 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.49 -154.76 23.65 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -127.42 155.17 44.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 110.813 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 69.5 m -113.04 18.44 18.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.67 -167.42 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.739 0.304 . . . . 0.0 110.69 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.82 156.98 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.932 0.396 . . . . 0.0 111.284 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 93.0 m -136.95 130.95 32.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.402 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -149.72 128.41 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.746 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 31.3 m -52.34 -63.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.391 -0.523 . . . . 0.0 109.836 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 35.4 p -130.53 -98.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.15 55.44 5.75 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 121.254 -0.498 . . . . 0.0 112.48 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.58 -170.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.576 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.36 -54.62 1.07 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -162.18 -76.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.59 152.87 25.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.337 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -135.92 133.49 37.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.76 150.99 39.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.74 -162.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.469 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.12 170.61 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.698 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.98 19.28 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.895 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.88 -90.36 0.09 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -129.88 135.17 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 89.3 p -158.2 -179.75 8.41 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.339 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.62 99.38 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.476 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.53 19.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.332 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.1 m -123.79 141.22 52.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.25 -158.34 0.05 OUTLIER Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.13 44.9 1.05 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.441 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.54 -108.69 0.18 Allowed Glycine 0 C--N 1.336 0.542 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.47 124.98 26.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.68 165.01 31.76 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.274 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -123.34 115.02 20.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.717 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 160.99 40.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.068 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -28.6 102.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 124.516 3.477 . . . . 0.0 115.108 -177.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -59.93 112.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.259 0.349 . . . . 0.0 110.262 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.41 104.91 0.44 Allowed Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . 0.43 ' CZ ' ' OG1' ' G' ' 78' ' ' THR . 1.0 OUTLIER 69.25 94.61 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.946 0.403 . . . . 0.0 111.08 179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.22 -90.3 0.49 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 93.9 p -100.27 149.98 23.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.947 0.403 . . . . 0.0 111.04 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 78' ' ' THR . . . . . 0.428 ' OG1' ' CZ ' ' I' ' 75' ' ' TYR . 47.6 m -111.32 111.07 21.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.245 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.49 101.81 0.87 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.13 100.92 0.2 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -71.54 132.65 44.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.105 0.479 . . . . 0.0 110.966 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.18 -44.87 0.75 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.2 0.02 OUTLIER 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.743 0.306 . . . . 0.0 110.418 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -104.81 -63.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.155 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 50.0 91.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.71 139.74 25.4 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.366 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 91.1 p -140.93 147.15 38.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.375 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.21 -177.83 1.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.116 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 66.4 m -144.4 160.33 41.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.74 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.27 133.89 33.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -147.11 90.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.003 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.05 61.01 0.2 Allowed Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.043 -0.599 . . . . 0.0 111.765 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.55 104.73 16.78 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.277 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.83 141.73 38.68 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.884 0.373 . . . . 0.0 111.041 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.74 130.45 21.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.4 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.74 72.98 0.43 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.58 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.15 97.05 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.528 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 67.9 m -80.78 144.56 32.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.523 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.23 -154.91 23.45 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -127.29 155.19 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 0.0 110.831 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 69.8 m -113.07 18.58 17.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.078 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.71 -167.62 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.707 0.289 . . . . 0.0 110.653 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.64 157.17 23.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.3 m -137.24 130.97 31.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.482 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -149.59 129.44 13.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.689 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 30.4 m -53.61 -63.27 1.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -130.66 -97.86 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 43.96 55.4 5.62 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.249 -0.501 . . . . 0.0 112.412 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.65 -170.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.181 0.49 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.34 -54.77 1.07 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.19 -76.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 0.0 110.647 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.54 152.87 25.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.362 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -136.0 133.53 37.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.445 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.75 150.94 39.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.702 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.69 -162.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.525 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 59.7 p -73.21 170.66 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.63 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.96 19.15 11.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.77 -90.41 0.09 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.89 135.31 48.22 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 89.4 p -158.34 -179.76 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.223 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.71 99.56 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.94 107.53 19.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.38 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.1 m -123.53 141.47 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.165 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.56 -158.32 0.06 OUTLIER Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.21 45.9 1.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 122.816 -0.226 . . . . 0.0 111.163 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.83 -108.54 0.16 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 19.5 p -134.41 125.2 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -148.02 165.0 32.07 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.273 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m -123.48 115.03 20.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.714 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.19 161.06 41.48 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -28.94 103.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 124.543 3.495 . . . . 0.0 114.791 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -60.02 112.77 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.259 0.349 . . . . 0.0 110.217 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.23 105.13 0.42 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . 0.428 ' CZ ' ' OG1' ' H' ' 78' ' ' THR . 1.0 OUTLIER 69.27 94.27 0.07 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.045 179.72 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.74 -89.86 0.47 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 94.4 p -100.43 149.79 23.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 111.027 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 47.9 m -110.9 110.97 21.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.38 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.36 101.81 0.88 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.21 101.01 0.2 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -71.43 132.9 45.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.09 0.471 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.07 -44.67 0.77 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.25 132.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.737 0.303 . . . . 0.0 110.445 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.8 -62.94 1.27 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.163 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.86 91.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.764 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 28.7 t -146.66 140.05 25.7 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.671 -0.411 . . . . 0.0 111.267 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 91.7 p -141.29 146.9 37.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.342 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.14 -177.95 1.98 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.025 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 67.0 m -144.27 160.2 41.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.662 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -137.95 133.75 34.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -147.3 91.5 1.99 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.072 0.463 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 122.68 61.34 0.21 Allowed Glycine 0 CA--C 1.527 0.804 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.727 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -97.44 104.52 16.55 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.355 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.89 141.69 38.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.094 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.71 130.29 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 41.0 t 54.94 72.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.628 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.473 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -65.78 167.28 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.682 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 81.2 p -56.08 93.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.73 172.24 54.89 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -136.51 130.48 32.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.972 0.415 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 t -138.25 139.94 39.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.668 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.24 174.98 6.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -66.74 136.8 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.3 m -123.29 136.56 54.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.305 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.69 163.87 27.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.446 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.1 m -127.31 -51.8 1.4 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.639 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.5 m -136.1 157.41 46.89 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.94 0.4 . . . . 0.0 111.586 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.57 72.76 1.07 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 121.148 -0.548 . . . . 0.0 112.141 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 41.31 81.71 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.518 0.187 . . . . 0.0 111.223 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.05 89.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.21 83.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.0 110.495 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.6 t -130.44 128.2 40.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.861 0.363 . . . . 0.0 110.916 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.9 m -102.28 146.06 28.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.324 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -121.03 121.43 37.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.488 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.3 p -152.18 25.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.1 t -60.34 132.43 53.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -80.75 -27.07 36.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.42 161.4 54.35 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.9 -173.82 2.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.601 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m 57.48 39.68 27.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -101.33 99.6 9.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -114.12 121.26 43.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.558 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.2 m -113.72 123.23 49.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.564 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.88 10.39 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.3 -45.43 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.022 0.439 . . . . 0.0 110.478 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.53 -135.92 13.13 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.6 p -121.67 141.39 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 110.489 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.29 163.82 32.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.762 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -136.04 121.24 19.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.452 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.409 ' C ' ' OG1' ' B' ' 71' ' ' THR . 29.9 p -73.24 164.55 60.15 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.415 ' N ' ' OG1' ' B' ' 71' ' ' THR . 42.3 Cg_endo -90.13 106.92 0.36 Allowed 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 123.042 2.495 . . . . 0.0 113.708 -176.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -56.49 113.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.848 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.67 101.11 2.59 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.575 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.61 69.3 0.42 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.563 0.697 . . . . 0.0 111.41 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.51 -98.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.6 t -99.51 120.6 39.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.9 m -84.91 123.5 30.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.246 0.546 . . . . 0.0 111.031 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.92 101.3 0.25 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.73 100.54 0.43 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -60.92 -165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.593 0.235 . . . . 0.0 110.756 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.78 -47.71 2.76 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.22 131.04 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.75 0.31 . . . . 0.0 110.44 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -106.71 -65.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.751 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.35 104.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.608 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.9 122.39 34.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.7 m -136.09 116.98 14.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.353 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.06 -171.63 0.45 Allowed 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.867 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.0 p -171.09 163.98 7.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.541 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.45 135.53 5.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.582 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -48.21 -78.77 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.941 0.4 . . . . 0.0 111.703 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.85 79.36 0.06 OUTLIER Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.655 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.61 173.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.724 0.297 . . . . 0.0 110.64 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -149.67 160.03 43.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.56 117.61 20.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.39 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.1 t 56.39 55.18 6.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.634 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.585 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -65.58 167.33 9.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.707 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 80.9 p -56.2 93.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.034 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.8 172.26 54.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -136.35 130.66 33.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.799 0.333 . . . . 0.0 110.594 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 44.6 t -138.42 139.89 39.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.582 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.15 175.02 6.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.678 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.6 m -66.78 136.81 56.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 41.3 m -123.13 136.74 54.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.353 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.59 163.33 28.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.635 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.28 -51.87 1.4 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.649 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.4 m -135.9 157.98 45.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.102 0.477 . . . . 0.0 111.593 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.71 74.48 0.91 Allowed Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.917 -0.658 . . . . 0.0 111.997 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.6 82.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.625 0.25 . . . . 0.0 111.42 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.19 89.37 0.05 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 65.31 82.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.537 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.46 127.77 39.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.11 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 70.6 m -101.86 146.19 28.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.309 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.01 121.42 37.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.497 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 80.2 p -152.21 25.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -60.32 132.43 53.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.569 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -80.76 -27.17 36.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.5 161.36 54.35 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.78 -173.7 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.679 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.2 m 57.36 39.68 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.735 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.34 99.73 10.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.16 121.17 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.654 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 85.9 m -113.7 123.33 49.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.616 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.03 130.75 10.34 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.71 -44.8 7.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 0.0 110.493 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.1 -136.22 13.34 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 56.6 p -121.45 141.45 51.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.853 0.359 . . . . 0.0 110.53 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.24 164.22 31.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.699 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 29.8 t -136.29 120.91 18.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.353 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.425 ' C ' ' OG1' ' C' ' 71' ' ' THR . 30.1 p -73.61 165.25 54.7 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.886 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.42 ' N ' ' OG1' ' C' ' 71' ' ' THR . 41.4 Cg_endo -90.66 104.49 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 123.319 2.679 . . . . 0.0 114.451 -175.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.98 113.12 1.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.011 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.89 101.35 2.62 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.731 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.76 69.4 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.257 0.551 . . . . 0.0 111.179 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.41 -98.57 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.48 120.4 39.57 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 17.1 m -83.99 123.93 30.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.936 0.398 . . . . 0.0 111.036 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.34 101.2 0.25 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.67 100.74 0.44 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -61.04 -166.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.731 0.3 . . . . 0.0 110.719 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.92 -47.42 2.71 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.17 131.1 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.68 0.276 . . . . 0.0 110.46 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 67.9 m -106.69 -65.17 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.763 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 19.8 tm0? 65.3 104.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.614 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.88 122.3 34.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 70.7 m -135.91 116.94 14.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.92 -171.56 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.917 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -171.19 163.93 7.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.587 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.38 135.51 5.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.725 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -48.35 -79.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.286 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 79.22 0.06 OUTLIER Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.546 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.56 173.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.715 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.62 160.03 43.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.927 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.58 117.65 20.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.426 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.42 55.1 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.696 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.676 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.72 167.4 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 81.0 p -56.17 93.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.85 172.26 54.98 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -136.37 130.66 33.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.554 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 44.7 t -138.43 139.92 39.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.591 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.09 174.99 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.697 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -66.74 136.75 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 41.7 m -123.15 136.74 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.257 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.6 163.43 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.768 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 54.6 m -127.46 -51.79 1.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.703 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 34.2 m -135.95 157.88 45.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.082 0.468 . . . . 0.0 111.617 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.79 74.41 0.92 Allowed Glycine 0 C--O 1.225 -0.437 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.035 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.71 82.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.507 0.194 . . . . 0.0 111.487 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.28 89.38 0.05 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 65.39 82.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.562 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 42.2 t -130.41 127.71 39.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -101.8 146.24 28.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.347 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.11 121.43 37.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.479 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 80.2 p -152.16 25.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.603 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -60.32 132.45 53.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.8 -27.14 36.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.42 161.27 54.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.72 -173.69 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.714 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m 57.38 39.57 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.25 99.68 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.544 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -114.14 121.15 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.664 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 86.2 m -113.61 123.3 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.626 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.95 130.65 10.31 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.69 -44.79 7.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.341 . . . . 0.0 110.542 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.15 -136.28 13.38 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 55.9 p -121.46 141.59 50.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.85 0.357 . . . . 0.0 110.54 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -144.32 164.22 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.665 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -136.41 120.86 18.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.252 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 71' ' ' THR . . . . . 0.426 ' C ' ' OG1' ' D' ' 71' ' ' THR . 30.2 p -73.58 165.42 53.21 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.902 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . 0.421 ' N ' ' OG1' ' D' ' 71' ' ' THR . 41.2 Cg_endo -90.79 104.27 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 123.27 2.647 . . . . 0.0 114.518 -175.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.74 113.1 1.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.036 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.97 101.54 2.64 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.669 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.71 69.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.252 0.548 . . . . 0.0 111.129 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.44 -98.53 0.01 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -99.5 120.5 39.73 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 17.4 m -84.09 124.09 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.965 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.44 101.15 0.24 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.75 100.76 0.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.96 -166.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.737 0.303 . . . . 0.0 110.773 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.93 -47.44 2.71 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.23 131.23 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.762 0.315 . . . . 0.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 67.0 m -106.73 -65.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.706 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.32 104.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.698 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 8.3 t -126.84 122.34 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.939 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -135.9 116.85 14.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.418 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.88 -171.55 0.46 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.915 -179.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -171.14 163.86 7.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.61 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.33 135.62 6.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.745 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -48.42 -79.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.39 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.72 79.2 0.06 OUTLIER Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.515 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.68 173.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.647 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -149.59 160.09 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.65 117.53 20.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.5 55.08 6.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.655 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.677 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -65.71 167.35 9.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.581 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 81.0 p -56.1 93.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.074 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.63 172.21 54.8 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -136.35 130.62 33.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.494 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -138.41 139.92 39.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.617 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.14 174.97 6.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.731 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 67.2 m -66.74 136.87 56.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 41.1 m -123.25 136.81 54.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.312 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.61 163.37 28.23 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.702 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 55.1 m -127.48 -51.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.488 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 34.0 m -135.72 158.02 45.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 111.6 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.64 74.48 0.91 Allowed Glycine 0 C--O 1.224 -0.505 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.979 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 39.67 82.14 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.571 0.224 . . . . 0.0 111.418 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.34 89.45 0.06 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.37 82.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.509 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.46 127.64 39.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.124 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 70.2 m -101.74 146.22 28.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.322 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.04 121.41 37.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.18 25.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.594 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.23 132.42 53.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.562 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.81 -27.07 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.57 161.34 54.36 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.8 -173.68 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.635 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m 57.42 39.6 28.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.764 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -101.3 99.67 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.463 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -114.15 121.21 43.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.673 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -113.72 123.24 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.708 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.68 10.32 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.66 -44.8 7.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 110.527 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.11 -136.23 13.35 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 56.3 p -121.54 141.58 50.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.955 0.407 . . . . 0.0 110.458 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.33 164.14 31.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.628 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.23 120.84 18.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.289 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 71' ' ' THR . . . . . 0.428 ' C ' ' OG1' ' E' ' 71' ' ' THR . 30.1 p -73.61 165.42 53.2 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.916 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . 0.424 ' N ' ' OG1' ' E' ' 71' ' ' THR . 41.0 Cg_endo -90.78 104.15 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 123.327 2.685 . . . . 0.0 114.649 -175.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.67 113.06 1.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.127 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.92 101.43 2.63 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.731 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.81 69.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.227 0.537 . . . . 0.0 111.177 179.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.37 -98.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 30.3 t -99.44 120.47 39.66 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 16.9 m -83.79 123.94 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.174 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.52 101.23 0.25 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.63 100.84 0.44 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -61.14 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.733 0.301 . . . . 0.0 110.72 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.96 -47.46 2.7 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.21 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.68 0.276 . . . . 0.0 110.512 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 67.3 m -106.66 -65.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.684 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.38 104.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.614 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.92 122.39 34.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 70.9 m -135.95 116.97 14.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.342 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.02 -171.6 0.45 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.926 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -171.11 163.84 7.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.586 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.32 135.63 6.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.744 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -48.5 -79.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.64 79.21 0.06 OUTLIER Glycine 0 CA--C 1.525 0.704 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.509 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.61 173.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 110.708 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.6 160.07 43.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.62 117.66 20.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.44 55.07 6.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.7 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -65.53 167.4 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.704 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 82.5 p -55.52 92.53 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.753 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.28 172.45 54.46 Favored Glycine 0 C--N 1.34 0.751 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -136.36 130.59 33.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.345 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -138.43 139.9 39.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.627 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.01 175.0 6.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.74 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 67.5 m -66.85 136.9 56.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 40.6 m -123.31 136.8 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.358 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.34 163.02 28.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.846 0.355 . . . . 0.0 110.686 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 50.8 m -128.06 -49.32 1.33 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 119.024 -1.071 . . . . 0.0 112.89 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 41.7 m -131.52 156.53 45.54 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.9 70.54 1.31 Allowed Glycine 0 C--O 1.223 -0.588 0 C-N-CA 119.25 -1.452 . . . . 0.0 112.284 175.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 40.25 82.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.857 0.329 . . . . 0.0 111.049 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.21 87.85 0.05 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 65.6 83.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 110.633 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.99 127.63 38.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 71.1 m -101.88 146.63 27.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.996 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.33 121.5 37.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.627 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.2 25.56 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -60.31 132.44 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.597 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.76 -27.06 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.606 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.55 161.3 54.34 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.73 -173.78 2.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.639 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m 57.47 39.66 27.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.724 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.3 99.36 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.594 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -113.79 120.96 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.735 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.64 123.03 48.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.643 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.38 130.51 10.26 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.56 -45.56 7.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.74 0.305 . . . . 0.0 110.267 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.62 -135.88 13.1 Favored Glycine 0 N--CA 1.469 0.843 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 56.5 p -121.93 141.06 51.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.737 0.303 . . . . 0.0 110.497 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.0 164.25 31.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.693 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -136.34 121.66 19.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.092 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 71' ' ' THR . . . . . 0.429 ' C ' ' OG1' ' F' ' 71' ' ' THR . 30.4 p -73.94 165.45 53.19 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.915 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . 0.421 ' N ' ' OG1' ' F' ' 71' ' ' THR . 45.0 Cg_endo -91.6 108.19 0.27 Allowed 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.39 2.06 . . . . 0.0 113.48 -175.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -57.41 114.44 2.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.557 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.77 100.88 2.58 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.813 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 68.2 67.45 0.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.887 0.375 . . . . 0.0 111.516 178.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.35 -99.32 0.01 OUTLIER Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 30.1 t -99.07 120.74 39.97 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 16.4 m -84.06 123.43 30.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 111.081 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.0 101.48 0.26 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.62 100.55 0.43 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.91 -164.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.795 0.331 . . . . 0.0 110.765 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.85 -44.74 3.01 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 169.18 131.43 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.962 0.411 . . . . 0.0 110.238 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 67.8 m -106.82 -65.17 1.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.682 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? 65.42 104.02 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.734 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.53 122.34 34.88 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.771 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -135.97 117.0 14.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.28 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.04 -171.82 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.888 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 86.4 p -170.16 164.58 9.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.531 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.65 135.97 5.97 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.83 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -49.6 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.533 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.69 76.87 0.07 OUTLIER Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.048 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -49.55 173.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 0.0 110.749 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.43 160.08 43.74 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.49 117.44 20.51 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 16.5 t 56.35 55.33 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.811 0.695 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 82.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.655 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -65.67 167.3 9.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.716 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 81.0 p -56.02 93.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.73 172.25 54.89 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -136.26 130.57 33.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.31 . . . . 0.0 110.525 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -138.4 139.95 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.597 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.15 174.97 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.745 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 67.5 m -66.82 136.82 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 41.9 m -123.18 136.86 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.291 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.64 163.36 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.754 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.39 -51.87 1.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.489 -0.485 . . . . 0.0 111.646 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 33.9 m -135.83 158.01 45.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.131 0.491 . . . . 0.0 111.636 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.65 74.64 0.9 Allowed Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.964 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.4 82.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.656 0.265 . . . . 0.0 111.496 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.28 89.42 0.05 OUTLIER Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 65.45 82.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 0.0 110.628 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.36 127.62 39.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.141 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -101.74 146.24 28.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.332 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.12 121.39 37.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.432 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 80.0 p -152.21 25.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -60.29 132.45 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.579 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.77 -27.13 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.6 161.25 54.34 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.65 -173.72 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m 57.47 39.6 27.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.33 99.71 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.12 121.2 43.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -113.67 123.31 49.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.641 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.02 130.72 10.33 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.69 -44.78 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.04 -136.36 13.43 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 57.3 p -121.38 141.55 50.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.831 0.348 . . . . 0.0 110.61 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -144.29 164.11 31.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.656 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.29 120.89 18.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.306 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 71' ' ' THR . . . . . 0.429 ' OG1' ' C ' ' E' ' 71' ' ' THR . 30.3 p -73.58 165.4 53.41 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . 0.422 ' N ' ' OG1' ' G' ' 71' ' ' THR . 41.0 Cg_endo -90.74 104.22 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 123.268 2.646 . . . . 0.0 114.63 -175.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.59 112.98 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.049 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.96 101.41 2.63 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.725 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.88 69.45 0.4 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.246 0.546 . . . . 0.0 111.042 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.44 -98.51 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.49 120.46 39.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 17.2 m -83.96 123.94 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.946 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.36 101.2 0.25 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.64 100.78 0.44 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -60.98 -166.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.798 0.332 . . . . 0.0 110.66 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.87 -47.47 2.73 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.24 131.26 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.761 0.315 . . . . 0.0 110.419 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 67.4 m -106.76 -65.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.696 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.22 104.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.85 122.38 34.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -135.97 116.96 14.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.353 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.87 -171.55 0.46 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.012 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 85.9 p -171.13 163.83 7.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.591 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.32 135.61 6.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.719 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.51 -79.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.289 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.58 79.12 0.06 OUTLIER Glycine 0 CA--C 1.525 0.713 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.576 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.55 173.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 110.696 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.52 160.14 43.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.969 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.68 117.61 20.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 16.7 t 56.42 55.13 6.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.714 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.611 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -65.55 167.34 9.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.682 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 81.1 p -56.08 93.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.005 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.87 172.2 55.01 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -136.44 130.62 32.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.559 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 44.7 t -138.35 139.97 39.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.18 175.05 6.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.688 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -66.89 136.86 56.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 41.6 m -123.18 136.71 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.265 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.63 163.36 28.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.773 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.35 -51.88 1.39 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.614 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 33.3 m -135.92 157.96 45.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.095 0.474 . . . . 0.0 111.6 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.71 74.48 0.91 Allowed Glycine 0 C--O 1.224 -0.477 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.004 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.65 82.06 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.528 0.204 . . . . 0.0 111.53 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.27 89.35 0.05 OUTLIER Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.38 82.96 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.318 . . . . 0.0 110.526 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.48 127.59 39.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.074 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -101.75 146.33 27.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.278 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.17 121.45 37.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.457 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.28 25.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -60.31 132.48 54.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.568 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -80.82 -27.08 36.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.5 161.18 54.31 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.65 -173.8 2.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.378 . . . . 0.0 110.649 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m 57.54 39.53 27.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.729 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.21 99.62 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -114.09 121.23 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.646 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.69 123.32 49.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.613 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.0 130.67 10.32 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.6 -44.9 7.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 110.502 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.15 -136.32 13.4 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 57.9 p -121.35 141.53 50.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 110.544 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.35 164.2 31.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.648 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.37 120.91 18.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.348 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 71' ' ' THR . . . . . 0.427 ' OG1' ' C ' ' F' ' 71' ' ' THR . 30.1 p -73.58 165.43 53.09 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.901 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . 0.42 ' N ' ' OG1' ' H' ' 71' ' ' THR . 41.1 Cg_endo -90.75 104.16 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 123.336 2.69 . . . . 0.0 114.572 -175.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.66 113.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.107 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.92 101.48 2.63 Favored Glycine 0 CA--C 1.523 0.577 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.668 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.78 69.44 0.41 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 111.118 179.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.38 -98.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -99.47 120.38 39.53 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 17.4 m -83.91 124.01 30.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.96 0.409 . . . . 0.0 111.016 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.4 101.26 0.25 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.67 100.72 0.44 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.94 -166.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.767 0.317 . . . . 0.0 110.69 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.88 -47.46 2.72 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.19 131.13 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.704 0.288 . . . . 0.0 110.493 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 66.6 m -106.72 -65.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.31 104.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.664 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.81 122.31 34.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 70.9 m -135.9 116.98 14.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.95 -171.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.888 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -171.15 163.86 7.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.594 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.31 135.62 6.12 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.745 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.54 -79.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.327 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.64 79.18 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.493 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.62 173.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.724 0.297 . . . . 0.0 110.691 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.5 160.17 43.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.68 117.6 20.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 16.9 t 56.46 55.07 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.221 -0.399 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.658 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -65.7 167.32 9.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.661 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 81.1 p -56.05 93.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.066 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.83 172.22 54.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -136.32 130.7 33.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.767 0.318 . . . . 0.0 110.467 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -138.44 139.96 39.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.584 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.06 175.01 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.663 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -66.89 136.9 56.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 41.0 m -123.23 136.64 54.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.59 163.29 28.39 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.732 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 54.3 m -127.35 -51.79 1.39 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.451 -0.499 . . . . 0.0 111.715 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 33.7 m -135.88 157.98 45.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 0.0 111.612 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.79 74.52 0.91 Allowed Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.975 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.66 82.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.613 0.244 . . . . 0.0 111.474 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.33 89.32 0.05 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.3 82.99 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 110.567 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -130.52 127.58 39.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.088 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -101.74 146.23 28.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.308 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.15 121.47 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.437 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.22 25.58 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.35 132.5 54.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.582 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -80.86 -27.09 36.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.44 161.17 54.3 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.66 -173.81 2.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.309 . . . . 0.0 110.72 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 50.5 m 57.46 39.73 27.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.687 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.32 99.65 10.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.498 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -114.12 121.24 43.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.637 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.69 123.35 49.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.03 130.6 10.29 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.65 -44.71 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.557 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.04 -136.36 13.43 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 57.3 p -121.39 141.52 50.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.847 0.356 . . . . 0.0 110.587 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.32 164.14 31.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.679 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.3 120.93 18.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.303 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 71' ' ' THR . . . . . 0.425 ' OG1' ' C ' ' G' ' 71' ' ' THR . 30.3 p -73.73 165.58 51.85 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.832 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . 0.408 ' N ' ' OG1' ' I' ' 71' ' ' THR . 41.4 Cg_endo -90.81 104.18 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 123.326 2.684 . . . . 0.0 114.539 -175.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.64 113.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.88 101.42 2.62 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.744 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 66.86 69.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.223 0.535 . . . . 0.0 111.116 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.41 -98.52 0.01 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.43 120.35 39.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 17.3 m -83.91 124.17 30.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 111.016 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.52 101.22 0.25 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.68 100.79 0.44 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -60.98 -166.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.826 0.346 . . . . 0.0 110.652 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.93 -47.37 2.71 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.19 131.17 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.762 0.315 . . . . 0.0 110.415 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 67.5 m -106.66 -65.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.699 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? 65.31 104.38 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.78 122.41 34.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -135.96 116.88 14.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.394 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.97 -171.79 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.902 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -170.92 163.97 7.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.618 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.35 135.6 6.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.783 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.52 -79.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.256 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.6 79.23 0.06 OUTLIER Glycine 0 CA--C 1.526 0.758 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.508 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.57 173.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.694 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.54 160.07 43.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.934 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.58 117.62 20.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.5 55.07 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 82.5 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.705 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.57 167.3 9.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.706 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 81.2 p -56.11 93.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.986 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.03 172.31 55.11 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -136.27 130.96 33.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.659 0.266 . . . . 0.0 110.513 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 44.4 t -138.65 139.9 38.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.631 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.97 174.96 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.727 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -66.72 137.08 56.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 39.9 m -123.42 136.65 54.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.92 161.89 31.97 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 53.1 m -126.27 -52.41 1.51 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.696 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 34.1 m -135.37 158.03 45.39 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.637 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.87 74.5 0.92 Allowed Glycine 0 C--O 1.225 -0.431 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.967 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 39.4 82.7 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.672 0.273 . . . . 0.0 111.44 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.59 89.32 0.06 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 65.05 83.49 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.456 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 42.8 t -131.04 127.44 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.905 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -101.74 146.17 28.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.351 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.03 121.49 38.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.465 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 79.9 p -152.25 25.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.35 132.43 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.68 -27.2 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.622 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.34 161.2 54.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.74 -173.8 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.655 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 50.5 m 57.45 39.7 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.738 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.39 99.73 10.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.07 121.43 43.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.648 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 84.9 m -114.03 123.38 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.575 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.01 130.43 10.23 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -95.1 -44.09 7.81 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.542 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.9 -136.65 13.62 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 52.2 p -121.23 141.62 50.7 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.542 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.42 164.24 31.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.901 0.381 . . . . 0.0 110.582 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -136.25 121.18 18.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.18 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 71' ' ' THR . . . . . 0.412 ' OG1' ' C ' ' H' ' 71' ' ' THR . 31.2 p -73.1 166.67 41.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.715 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -91.17 104.79 0.26 Allowed 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 123.282 2.654 . . . . 0.0 114.387 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -53.98 113.53 1.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.046 0.45 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.07 101.49 2.64 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.634 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 66.98 69.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.028 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.29 -98.26 0.01 OUTLIER Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 30.3 t -99.37 120.63 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 18.6 m -83.51 124.42 30.72 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.001 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.79 101.13 0.24 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.72 100.9 0.44 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -61.12 -166.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.957 0.408 . . . . 0.0 110.67 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.98 -47.18 2.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.15 131.21 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.692 0.282 . . . . 0.0 110.509 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 67.1 m -106.64 -65.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.26 104.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.85 122.35 34.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 71.0 m -135.85 116.96 14.39 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.303 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.04 -172.45 0.5 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.854 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.0 p -170.32 164.05 8.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.618 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 4.4 m -162.03 136.15 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.863 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -49.42 -79.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.54 78.99 0.07 OUTLIER Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.434 -0.889 . . . . 0.0 111.416 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.44 173.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.82 0.343 . . . . 0.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.58 160.03 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.57 117.64 20.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.385 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 16.6 t 56.37 55.32 6.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.679 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.574 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.54 113.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.7 110.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.611 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.38 120.97 0.12 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -148.89 127.36 12.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 110.479 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.6 t -154.03 139.07 17.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.595 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.1 128.07 11.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.545 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.6 m -130.46 133.66 46.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.699 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.8 m -136.06 122.84 21.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.318 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -150.08 127.07 11.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.343 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.39 -52.45 9.11 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.637 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 p -132.5 -175.53 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.016 0.436 . . . . 0.0 110.987 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.13 68.44 1.65 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' A' ' 58' ' ' TYR . 10.7 m-85 31.98 71.45 0.08 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.146 0.556 . . . . 0.0 112.077 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.7 96.54 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 67.77 87.06 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.859 0.362 . . . . 0.0 110.447 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.9 t -161.87 144.1 11.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.782 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.8 p -150.36 164.66 35.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.432 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 42.01 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.483 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.8 m -59.97 -41.01 91.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.599 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m 49.76 61.65 3.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' A' ' 50' ' ' TYR . 78.8 m-85 -59.96 -39.47 85.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.18 -150.86 12.03 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.06 27.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.707 0.289 . . . . 0.0 110.807 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.5 t -154.2 -69.15 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.751 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.79 105.06 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.519 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.56 154.59 51.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.003 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -134.35 133.96 41.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.66 -160.53 0.09 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.15 -52.05 12.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.08 -120.55 4.85 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -135.31 125.34 25.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.921 0.391 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -150.77 179.49 8.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.072 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -117.06 109.62 17.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.751 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 173.09 6.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.44 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -44.02 172.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 123.044 2.496 . . . . 0.0 113.623 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -102.94 -160.81 0.8 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.751 -1.113 . . . . 0.0 108.588 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.71 93.14 0.01 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -178.73 -41.07 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.02 -159.98 2.53 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.7 t -97.1 90.92 5.32 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.994 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.5 p -65.04 118.84 9.72 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.89 89.93 0.51 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.51 130.3 1.15 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -90.78 53.83 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.053 0.454 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.1 -70.41 0.34 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -159.48 106.88 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.477 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -131.95 85.53 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -136.18 143.15 44.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.441 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 p -163.9 -175.92 4.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.04 0.448 . . . . 0.0 111.289 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -144.98 139.36 27.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.731 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.09 -170.56 0.55 Allowed 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.146 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -170.7 167.11 7.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 111.095 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.32 137.18 51.82 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.371 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -139.95 87.92 2.19 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.202 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.87 59.69 0.22 Allowed Glycine 0 CA--C 1.526 0.753 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.581 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -98.53 116.1 30.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 110.635 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.3 137.11 37.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.804 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.98 119.74 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.48 79.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.599 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.522 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.49 113.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.66 110.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.35 120.91 0.12 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -148.99 127.07 11.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.557 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -153.87 139.05 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.6 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.06 128.01 11.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.498 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 61.7 m -130.27 133.56 46.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 25.3 m -135.98 122.81 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.419 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -150.04 127.02 11.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.757 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.57 -52.65 8.68 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.59 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 59.7 p -132.4 -175.37 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.097 0.475 . . . . 0.0 110.957 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.64 1.34 Allowed Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.411 ' CZ ' ' OH ' ' B' ' 58' ' ' TYR . 10.4 m-85 30.66 71.99 0.07 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.965 0.45 . . . . 0.0 112.193 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.08 96.45 0.27 Allowed Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.94 86.89 0.13 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.854 0.359 . . . . 0.0 110.433 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.86 143.82 11.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.816 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 98.4 p -150.2 164.8 34.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.521 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 41.95 30.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.462 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -59.94 -41.07 91.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.578 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m 49.83 61.66 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.522 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . 0.411 ' OH ' ' CZ ' ' B' ' 50' ' ' TYR . 78.4 m-85 -60.0 -39.4 85.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.775 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.25 -150.72 11.86 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.22 27.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 0.0 110.79 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 24.1 t -154.32 -68.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.86 105.03 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -135.52 154.92 51.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.013 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 99.2 m -134.54 134.16 41.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.686 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -160.39 0.09 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.21 -51.94 13.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.736 0.303 . . . . 0.0 110.911 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.86 -120.55 4.86 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.37 125.36 25.85 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.54 -179.97 7.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.427 . . . . 0.0 111.056 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -117.41 109.33 16.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.746 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.83 173.3 6.85 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.341 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -43.82 173.46 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 123.072 2.515 . . . . 0.0 113.557 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' B' ' 75' ' ' TYR . 1.2 tp60 -104.56 -161.6 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.913 -1.04 . . . . 0.0 108.457 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.88 93.17 0.01 OUTLIER Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' B' ' 73' ' ' GLN . 2.4 t80 -178.22 -42.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.983 0.421 . . . . 0.0 110.75 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.46 -159.89 2.91 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 27.8 t -97.23 90.62 5.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.69 0.281 . . . . 0.0 110.927 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 65.6 p -64.66 118.94 9.63 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.93 90.18 0.51 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.35 130.31 1.15 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -90.62 54.47 2.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.001 0.429 . . . . 0.0 110.795 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.45 -70.37 0.33 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 25.8 t -159.57 107.09 1.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.848 0.356 . . . . 0.0 110.521 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -132.01 85.51 2.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.354 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.21 142.89 44.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.521 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -163.57 -175.81 4.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.071 0.463 . . . . 0.0 111.374 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -145.05 139.04 27.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.762 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.81 -170.45 0.57 Allowed 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.321 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -170.76 166.98 7.82 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.17 137.02 51.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.423 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -140.14 88.67 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.215 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.34 60.04 0.22 Allowed Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.623 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -98.65 116.04 30.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 110.617 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.4 137.05 36.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.93 119.73 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.372 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.56 79.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.561 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.56 113.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.55 110.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.28 120.88 0.12 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -148.88 127.11 12.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 110.646 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 48.1 t -153.89 139.01 17.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.674 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.08 128.04 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.522 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -130.32 133.62 46.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.744 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 25.4 m -135.97 122.81 21.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.386 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -150.05 127.14 11.23 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.682 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.63 -52.71 8.56 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.612 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 59.9 p -132.37 -175.37 3.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.078 0.466 . . . . 0.0 110.998 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.59 1.35 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . 0.411 ' CZ ' ' OH ' ' C' ' 58' ' ' TYR . 10.2 m-85 30.67 71.92 0.07 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.08 96.49 0.27 Allowed Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.92 86.86 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 0.0 110.453 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -161.83 143.85 11.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 100.0 p -150.13 164.78 34.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.39 41.94 30.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.442 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 74.2 m -59.89 -41.03 90.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.654 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 53.3 m 49.73 61.69 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.565 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . 0.411 ' OH ' ' CZ ' ' C' ' 50' ' ' TYR . 78.6 m-85 -59.93 -39.58 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.735 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.38 -150.69 11.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.26 27.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 110.794 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 24.3 t -154.32 -69.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.745 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.82 104.98 7.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.501 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.52 155.01 51.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 111.047 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 99.0 m -134.46 134.23 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.98 -160.33 0.09 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.32 -51.94 13.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.684 0.278 . . . . 0.0 110.927 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.92 -120.64 4.89 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -135.34 125.39 25.94 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.565 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.65 -179.97 7.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 111.044 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -117.39 109.43 16.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.713 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.87 173.34 6.8 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.316 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -43.88 173.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 123.066 2.511 . . . . 0.0 113.523 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' C' ' 75' ' ' TYR . 1.2 tp60 -104.7 -161.64 0.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.375 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.96 93.15 0.01 OUTLIER Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' C' ' 73' ' ' GLN . 2.4 t80 -178.18 -41.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 110.753 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.28 -159.79 2.8 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 27.8 t -97.24 90.66 5.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.683 0.278 . . . . 0.0 110.934 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 64.5 p -64.74 118.85 9.55 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.86 90.29 0.52 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.28 130.31 1.15 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -90.7 54.47 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.916 0.388 . . . . 0.0 110.707 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.39 -70.24 0.33 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 25.8 t -159.63 107.13 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 110.462 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -132.1 85.55 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.25 142.79 44.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.519 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 16.2 p -163.52 -175.82 4.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.008 0.432 . . . . 0.0 111.411 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 66.9 m -145.03 139.01 27.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.718 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.78 -170.48 0.58 Allowed 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.348 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -170.77 166.9 7.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.814 0.34 . . . . 0.0 111.079 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.13 137.01 51.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.419 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.11 88.69 2.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.265 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.3 60.09 0.23 Allowed Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.619 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -98.6 116.02 29.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.733 0.301 . . . . 0.0 110.642 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.36 137.08 36.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 119.77 21.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.64 78.98 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.571 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.61 113.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.532 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.53 110.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.614 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.34 120.88 0.12 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -149.02 127.07 11.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 110.566 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -153.86 139.07 17.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.646 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -151.11 128.0 11.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.564 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 63.1 m -130.29 133.58 46.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 25.1 m -136.01 122.86 21.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.462 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -150.07 127.01 11.12 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.48 -52.78 8.52 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.629 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 59.6 p -132.21 -175.32 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.97 0.414 . . . . 0.0 111.11 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.79 69.71 1.32 Allowed Glycine 0 C--O 1.224 -0.483 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . 0.411 ' CZ ' ' OH ' ' D' ' 58' ' ' TYR . 10.2 m-85 30.57 72.14 0.06 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 179.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.24 96.47 0.28 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.88 86.91 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.39 . . . . 0.0 110.434 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.87 143.85 11.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 97.2 p -150.17 164.75 34.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.557 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.38 41.93 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 73.9 m -59.88 -41.12 90.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 52.7 m 49.88 61.67 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.512 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . 0.411 ' OH ' ' CZ ' ' D' ' 50' ' ' TYR . 78.8 m-85 -59.94 -39.59 86.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.38 -150.72 11.77 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.725 0.298 . . . . 0.0 110.778 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 24.4 t -154.29 -69.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.796 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.82 105.01 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.464 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.46 155.03 51.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 111.033 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -134.54 134.13 41.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.758 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.82 -160.37 0.09 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.31 -51.87 13.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.735 0.302 . . . . 0.0 111.03 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.9 -120.6 4.88 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.39 125.42 25.94 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.7 179.97 7.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.952 0.406 . . . . 0.0 111.026 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -117.36 109.44 16.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.682 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.96 173.39 6.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.31 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -43.81 173.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 123.06 2.507 . . . . 0.0 113.504 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' D' ' 75' ' ' TYR . 1.2 tp60 -104.71 -161.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.341 178.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.95 93.05 0.01 OUTLIER Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' D' ' 73' ' ' GLN . 2.4 t80 -178.07 -41.94 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.939 0.399 . . . . 0.0 110.754 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.34 -159.91 2.81 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 27.6 t -97.2 90.77 5.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.737 0.304 . . . . 0.0 110.951 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 65.8 p -64.62 118.83 9.44 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.886 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.89 90.17 0.51 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.34 130.4 1.16 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -90.72 54.57 2.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.983 0.42 . . . . 0.0 110.74 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.46 -70.26 0.33 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 25.1 t -159.7 107.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.438 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.13 85.43 2.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.348 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.13 142.84 44.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -163.58 -175.92 4.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.002 0.43 . . . . 0.0 111.367 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -144.94 139.08 27.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.77 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.82 -170.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.345 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -170.7 166.97 7.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.14 136.92 51.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.398 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -140.1 88.77 2.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.235 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.28 60.12 0.23 Allowed Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.667 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -98.64 115.97 29.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.738 0.304 . . . . 0.0 110.697 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.32 137.03 37.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.95 119.84 21.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 33.4 t 58.52 79.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.542 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.531 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 8.5 t80 63.48 113.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.25 111.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.0 121.09 0.11 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -149.01 127.08 11.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.764 0.316 . . . . 0.0 110.562 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -153.92 139.07 17.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.632 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.09 128.02 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.507 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 61.8 m -130.28 133.59 46.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.803 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 25.3 m -136.02 122.74 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.46 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.94 127.96 11.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.1 -49.39 10.92 Favored 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 119.11 -1.036 . . . . 0.0 111.888 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 57.0 p -130.93 -175.38 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.066 0.46 . . . . 0.0 111.59 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 69.07 70.64 1.12 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 177.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' E' ' 49' ' ' GLY . 10.9 m-85 27.11 76.64 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.323 0.649 . . . . 0.0 110.953 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.61 93.89 0.27 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 68.97 87.16 0.12 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 15.6 t -162.0 143.86 11.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 99.6 p -149.95 165.14 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.373 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.17 41.9 31.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 110.427 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 74.1 m -59.83 -41.18 90.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.623 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 53.7 m 49.91 61.68 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' E' ' 50' ' ' TYR . 78.6 m-85 -59.99 -39.59 86.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.725 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.41 -150.6 11.65 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.33 26.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.718 0.294 . . . . 0.0 110.755 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 23.9 t -154.27 -69.09 0.14 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.78 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.68 104.2 6.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.694 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -134.98 155.1 51.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.944 0.402 . . . . 0.0 111.019 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -134.57 134.01 40.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.597 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.96 -161.98 0.1 OUTLIER Glycine 0 CA--C 1.524 0.656 0 O-C-N 124.621 1.2 . . . . 0.0 111.03 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.44 -52.36 10.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.641 0.258 . . . . 0.0 110.922 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.14 -120.27 4.75 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -135.8 125.13 24.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.124 0.964 . . . . 0.0 110.795 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -151.09 179.39 8.31 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.297 -0.877 . . . . 0.0 110.755 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 94.5 p -117.71 111.63 19.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.43 173.27 6.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 125.02 1.45 . . . . 0.0 109.771 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -44.53 174.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.504 2.104 0 C-N-CA 122.902 2.401 . . . . 0.0 113.474 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' E' ' 75' ' ' TYR . 1.2 tp60 -104.51 -161.24 0.81 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.607 -1.178 . . . . 0.0 108.468 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.67 91.82 0.01 OUTLIER Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' E' ' 73' ' ' GLN . 2.4 t80 -177.54 -41.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.361 . . . . 0.0 111.09 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.99 -159.66 2.61 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 28.2 t -96.89 89.8 5.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.432 0.158 . . . . 0.0 111.164 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 59.6 p -64.39 119.38 10.24 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.52 89.31 0.49 Allowed Glycine 0 CA--C 1.541 1.684 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.297 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.28 129.54 1.08 Allowed Glycine 0 C--N 1.343 0.933 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -90.34 56.48 3.38 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.677 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -120.6 -69.88 0.29 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 25.6 t -159.86 107.06 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -131.67 84.48 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.07 0.856 . . . . 0.0 110.275 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -135.63 142.3 45.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.68 0.276 . . . . 0.0 110.492 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 16.9 p -163.17 -176.49 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.048 0.452 . . . . 0.0 111.391 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 66.6 m -144.61 139.12 27.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.716 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.86 -170.49 0.57 Allowed 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.448 0.642 . . . . 0.0 111.321 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 88.6 p -169.7 168.34 9.08 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.834 -0.542 . . . . 0.0 111.078 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.69 136.94 51.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.759 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -139.46 88.45 2.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.489 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.38 59.82 0.22 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.566 -0.613 . . . . 0.0 111.566 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -96.49 115.56 27.64 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.992 -0.122 . . . . 0.0 111.157 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.28 137.1 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.828 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.44 119.68 21.95 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.196 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 33.2 t 58.61 79.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.723 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.608 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.56 113.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.62 110.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.584 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.25 120.94 0.11 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -148.93 127.06 12.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.727 0.298 . . . . 0.0 110.59 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 47.9 t -153.92 139.02 17.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -151.08 128.08 11.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.523 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 62.3 m -130.36 133.62 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.753 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 25.4 m -136.16 122.91 21.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.41 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -150.03 127.18 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.718 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.61 -52.78 8.46 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.595 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 59.7 p -132.24 -175.43 3.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.028 0.442 . . . . 0.0 111.042 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.98 69.87 1.29 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . 0.41 ' CZ ' ' OH ' ' F' ' 58' ' ' TYR . 10.2 m-85 30.37 72.02 0.06 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.13 96.42 0.27 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.9 86.86 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.907 0.384 . . . . 0.0 110.425 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.79 143.8 11.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.799 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -150.13 164.79 34.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.35 42.03 30.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.457 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -59.91 -41.04 90.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.662 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 52.9 m 49.73 61.73 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.521 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . 0.41 ' OH ' ' CZ ' ' F' ' 50' ' ' TYR . 78.6 m-85 -59.97 -39.55 86.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.34 -150.69 11.77 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.71 0.29 . . . . 0.0 110.758 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 24.0 t -154.34 -69.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.78 105.02 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.474 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.57 155.1 51.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.918 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -134.63 134.16 40.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.662 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.88 -160.34 0.09 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.38 -51.85 14.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.65 0.262 . . . . 0.0 110.962 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.88 -120.63 4.89 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -135.44 125.41 25.83 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.632 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -150.66 -179.96 7.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 111.026 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 97.4 p -117.32 109.41 16.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.683 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.97 173.37 6.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.327 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -43.8 173.6 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 123.088 2.525 . . . . 0.0 113.474 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' F' ' 75' ' ' TYR . 1.2 tp60 -104.71 -161.67 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.355 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.89 93.13 0.01 OUTLIER Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' F' ' 73' ' ' GLN . 2.4 t80 -178.21 -41.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 110.683 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.33 -159.87 2.81 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 27.9 t -97.23 90.66 5.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.693 0.282 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 65.2 p -64.66 118.91 9.58 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.86 90.12 0.51 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.36 130.36 1.16 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -90.63 54.51 2.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.921 0.391 . . . . 0.0 110.756 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.4 -70.28 0.33 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 25.6 t -159.59 107.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.831 0.348 . . . . 0.0 110.514 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.08 85.5 2.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.24 142.72 44.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.588 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -163.45 -175.86 4.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.017 0.437 . . . . 0.0 111.449 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 66.9 m -145.0 139.09 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.686 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.77 -170.49 0.58 Allowed 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.31 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -170.79 166.93 7.76 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.05 136.97 51.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.46 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.14 88.73 2.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.247 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.29 60.12 0.23 Allowed Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.61 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -98.63 115.94 29.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.741 0.305 . . . . 0.0 110.635 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.35 137.04 36.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.89 119.68 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.479 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.58 79.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.562 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.537 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 8.5 t80 63.53 113.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.54 110.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.617 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.25 120.95 0.11 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -148.95 127.1 12.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.54 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -153.92 139.07 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.572 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -151.13 128.06 11.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.428 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 62.4 m -130.35 133.61 46.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.745 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 25.3 m -135.98 122.82 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.4 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -150.05 127.06 11.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.705 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.55 -52.81 8.43 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.554 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 59.7 p -132.2 -175.33 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.0 0.429 . . . . 0.0 111.135 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.84 69.75 1.31 Allowed Glycine 0 C--O 1.224 -0.514 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' G' ' 58' ' ' TYR . 10.2 m-85 30.64 71.89 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.13 96.43 0.27 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.92 86.89 0.13 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.86 0.362 . . . . 0.0 110.448 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -161.85 143.7 11.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -150.07 164.73 34.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.543 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 42.0 30.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.481 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 73.9 m -59.89 -41.01 90.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.636 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 53.1 m 49.82 61.69 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.485 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' G' ' 50' ' ' TYR . 79.0 m-85 -59.99 -39.47 85.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.804 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.32 -150.7 11.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.35 27.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.689 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 24.1 t -154.34 -69.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.85 105.04 7.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.473 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.59 155.03 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -134.5 134.17 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.704 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.85 -160.34 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.4 -51.92 14.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.682 0.277 . . . . 0.0 110.905 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.88 -120.61 4.88 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.37 125.31 25.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.653 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.59 -179.93 7.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.009 0.433 . . . . 0.0 111.067 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -117.5 109.42 16.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.702 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.91 173.34 6.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.299 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.87 173.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 123.102 2.535 . . . . 0.0 113.47 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' G' ' 75' ' ' TYR . 1.2 tp60 -104.59 -161.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.422 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.83 93.02 0.01 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' G' ' 73' ' ' GLN . 2.4 t80 -178.03 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.983 0.421 . . . . 0.0 110.74 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.3 -159.86 2.79 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 27.8 t -97.29 90.68 5.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.731 0.3 . . . . 0.0 110.915 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 64.9 p -64.67 118.92 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.93 90.21 0.52 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.36 130.36 1.16 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -90.59 54.4 2.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.935 0.398 . . . . 0.0 110.783 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.37 -70.27 0.33 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 25.3 t -159.62 107.15 1.72 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.808 0.337 . . . . 0.0 110.473 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -132.12 85.51 2.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.15 142.82 44.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.612 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -163.52 -175.89 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.075 0.464 . . . . 0.0 111.374 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -144.94 139.12 27.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.724 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.87 -170.55 0.57 Allowed 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.287 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -170.69 166.96 7.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.857 0.361 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.12 136.94 51.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.415 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.12 88.85 2.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.196 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.17 60.06 0.23 Allowed Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.736 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -98.57 116.03 29.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.709 0.29 . . . . 0.0 110.646 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.46 137.13 36.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.9 0.381 . . . . 0.0 110.771 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 119.76 21.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.394 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.54 79.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.62 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.567 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.6 113.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.71 110.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.511 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.37 120.89 0.12 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -148.99 127.07 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -153.8 139.05 17.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.605 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.13 128.1 11.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.529 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -130.36 133.7 46.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.705 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 25.4 m -136.07 122.76 21.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.366 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -149.95 127.23 11.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.68 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.65 -52.81 8.38 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.55 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 59.8 p -132.26 -175.45 3.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.039 0.447 . . . . 0.0 111.008 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.72 1.32 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' H' ' 58' ' ' TYR . 10.4 m-85 30.59 71.94 0.07 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.02 96.45 0.27 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.87 86.84 0.13 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.912 0.387 . . . . 0.0 110.424 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 15.7 t -161.77 143.69 11.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 97.6 p -150.05 164.79 34.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.508 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.39 41.95 30.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.473 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -59.9 -41.01 90.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.619 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 52.8 m 49.71 61.7 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' H' ' 50' ' ' TYR . 78.7 m-85 -60.0 -39.43 85.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.28 -150.7 11.82 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.33 27.16 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.698 0.285 . . . . 0.0 110.744 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 24.2 t -154.38 -69.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.806 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.77 104.97 7.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.5 155.0 51.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 111.01 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 99.6 m -134.61 134.22 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.71 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.91 -160.3 0.09 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.28 -52.01 13.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.657 0.265 . . . . 0.0 110.9 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.89 -120.68 4.91 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.33 125.3 25.8 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.587 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -150.58 -180.0 7.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.992 0.425 . . . . 0.0 111.028 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -117.38 109.52 16.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.682 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.01 173.38 6.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.317 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -43.88 173.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 123.094 2.529 . . . . 0.0 113.467 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' H' ' 75' ' ' TYR . 1.2 tp60 -104.74 -161.61 0.83 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.393 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.02 93.18 0.01 OUTLIER Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' H' ' 73' ' ' GLN . 2.4 t80 -178.04 -42.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.001 0.429 . . . . 0.0 110.707 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.47 -159.79 2.96 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 27.8 t -97.31 90.61 5.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.656 0.265 . . . . 0.0 110.909 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -64.57 119.0 9.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.94 90.25 0.52 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.29 130.39 1.16 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -90.74 54.57 2.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.895 0.379 . . . . 0.0 110.677 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.45 -70.27 0.33 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 25.0 t -159.56 107.11 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.443 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.03 85.51 2.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.378 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -136.22 142.77 44.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.5 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 16.4 p -163.48 -175.93 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.031 0.443 . . . . 0.0 111.429 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 67.2 m -144.9 139.11 27.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.734 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.84 -170.66 0.58 Allowed 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.324 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.6 p -170.55 167.01 8.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.85 0.357 . . . . 0.0 111.088 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.15 137.02 51.91 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.393 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -140.16 88.92 2.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.188 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.1 60.18 0.23 Allowed Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.69 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -98.61 116.0 29.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.683 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.41 137.05 36.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.99 119.82 21.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.59 79.06 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.562 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.516 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 8.5 t80 63.52 113.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.611 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.55 110.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.67 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.4 120.89 0.12 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -149.04 127.0 11.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.603 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 48.2 t -153.78 139.01 17.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.597 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.12 127.99 10.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 62.2 m -130.26 133.57 46.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.734 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 24.7 m -136.09 122.78 21.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.462 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -149.77 128.39 12.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.683 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -52.61 7.94 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.249 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -132.53 -175.38 3.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.987 0.422 . . . . 0.0 111.032 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.02 69.62 1.34 Allowed Glycine 0 C--O 1.224 -0.512 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . 0.408 ' CZ ' ' OH ' ' I' ' 58' ' ' TYR . 10.2 m-85 30.51 73.28 0.05 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.896 0.409 . . . . 0.0 111.974 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.32 96.39 0.33 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 67.81 86.56 0.13 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.818 0.342 . . . . 0.0 110.452 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 16.2 t -161.56 143.82 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.784 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 98.1 p -150.13 164.85 34.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.456 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.28 42.13 30.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -60.05 -41.1 91.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 52.3 m 49.76 61.65 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . 0.408 ' OH ' ' CZ ' ' I' ' 50' ' ' TYR . 78.8 m-85 -59.95 -39.45 85.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.748 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.25 -150.71 11.84 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.686 0.279 . . . . 0.0 110.744 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 24.0 t -154.2 -69.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.378 . . . . 0.0 110.79 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.83 105.07 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.73 155.14 50.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 110.796 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.6 m -134.45 134.48 41.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.694 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.21 -160.11 0.1 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.53 -51.65 15.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.431 0.157 . . . . 0.0 110.853 -179.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.7 -120.82 4.97 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 19.5 p -135.09 126.49 28.49 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.475 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -151.87 179.83 8.1 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.875 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 97.2 p -117.3 109.99 17.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.622 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.35 173.06 7.01 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.197 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -44.3 174.22 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.957 2.438 . . . . 0.0 113.421 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' I' ' 75' ' ' TYR . 1.2 tp60 -104.65 -161.43 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.56 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.87 93.25 0.01 OUTLIER Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' I' ' 73' ' ' GLN . 2.5 t80 -177.68 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.014 0.435 . . . . 0.0 110.444 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.24 -159.23 3.89 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 27.6 t -97.91 90.49 4.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.617 0.246 . . . . 0.0 110.724 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 62.6 p -64.27 118.94 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.81 90.34 0.52 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.25 130.51 1.17 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -90.75 55.19 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.337 . . . . 0.0 110.61 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.73 -70.12 0.32 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 24.3 t -159.76 107.18 1.69 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 0.0 110.429 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -132.03 85.66 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.272 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.24 142.59 44.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.528 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 16.5 p -163.44 -176.57 4.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.386 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 66.7 m -144.24 139.12 28.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.809 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.04 -171.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.291 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -169.8 167.13 9.44 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.935 0.398 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -127.96 136.84 51.87 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.517 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -140.37 89.47 2.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.051 0.453 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.7 60.61 0.24 Allowed Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.67 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -98.56 115.83 29.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.727 0.299 . . . . 0.0 110.724 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.39 137.05 36.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.787 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.85 119.77 21.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.381 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.54 79.05 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.64 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.59 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -112.67 128.19 56.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -129.25 101.9 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.55 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.76 135.48 12.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -130.76 144.1 51.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.647 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m 51.24 48.56 22.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.622 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -85.82 113.3 21.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -141.08 143.88 34.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.523 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -144.65 143.31 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.779 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -146.88 146.72 30.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.045 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.99 -52.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.186 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.1 t -134.57 129.45 35.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.677 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.98 76.23 0.87 Allowed Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.282 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 31.28 69.9 0.09 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.05 0.5 . . . . 0.0 112.217 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.65 95.22 0.45 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 67.2 94.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.445 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -159.11 160.1 35.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.239 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.8 m -133.41 138.89 46.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.809 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 48.78 29.73 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.791 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.36 152.58 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.349 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.4 m 49.16 38.11 12.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.61 134.21 56.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.676 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.22 -177.44 38.26 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.52 -35.0 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 110.41 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.9 m -128.46 148.13 50.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.411 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.81 55.87 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.47 113.02 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.633 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -119.92 131.85 55.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.04 -161.39 0.19 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -51.7 12.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.935 0.398 . . . . 0.0 111.132 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.39 -119.88 4.59 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.7 p -116.75 110.56 18.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.034 0.445 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.87 160.26 41.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.36 122.89 42.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.571 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.71 170.47 15.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.914 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.39 106.24 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.323 2.015 . . . . 0.0 112.974 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -69.18 113.47 6.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.46 -85.63 0.39 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -116.27 108.05 15.62 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.275 0.559 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.54 -86.1 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.85 173.82 14.77 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.513 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.9 p -136.35 166.88 22.43 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.467 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.11 -134.83 1.61 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.05 -93.61 2.22 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -49.08 165.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 79.94 59.86 2.53 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 82' ' ' GLY . 68.2 m -22.72 126.12 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 124.619 0.835 . . . . 0.0 112.146 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.8 p -103.06 107.48 18.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.114 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.26 103.03 9.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.992 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.2 m -140.39 156.99 46.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.021 0.438 . . . . 0.0 111.245 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.88 134.83 33.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.016 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.5 -176.25 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.955 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.6 p -169.09 160.52 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.6 t -164.06 144.2 8.16 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -145.93 73.08 1.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.257 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.29 53.03 0.09 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -97.36 112.17 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.712 0.291 . . . . 0.0 110.801 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.85 120.59 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.552 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.42 131.74 42.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.429 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.8 m 56.25 49.48 15.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.515 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.55 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.71 128.29 56.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.481 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 62.0 m -129.34 101.9 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.52 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.74 135.45 12.8 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.72 144.34 51.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 110.58 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m 51.07 48.49 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.682 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -85.82 113.34 21.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.92 143.77 34.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.672 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.59 142.98 30.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.788 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -146.47 146.33 30.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.266 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.05 -52.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.34 129.87 36.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.615 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 109.21 78.89 1.07 Allowed Glycine 0 C--O 1.222 -0.61 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.854 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' B' ' 49' ' ' GLY . 9.4 m-85 28.41 70.61 0.06 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 95.29 0.47 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.24 94.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.362 . . . . 0.0 110.46 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.2 p -159.24 160.0 34.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 59.0 m -133.41 138.92 46.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.689 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.815 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.24 152.65 44.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.34 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.16 38.13 12.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.62 134.21 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.711 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.13 -177.08 37.95 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.9 -35.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.322 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 63.9 m -128.54 148.05 50.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.375 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.92 55.83 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.517 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.55 113.09 24.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.613 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -119.87 131.93 55.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.07 -161.22 0.19 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -51.67 13.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.715 0.293 . . . . 0.0 111.056 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.45 -119.92 4.6 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.61 110.4 18.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.515 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.74 160.37 40.85 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 74.8 m -119.37 122.89 42.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.604 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.75 170.25 16.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.902 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 53.0 Cg_exo -53.4 104.44 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.417 2.078 . . . . 0.0 113.249 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -67.21 113.75 5.4 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.5 -85.65 0.39 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.03 108.12 15.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.967 0.413 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.77 -85.67 0.03 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.76 174.16 14.33 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.507 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 81.6 p -136.43 167.47 21.28 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.398 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.64 -134.77 1.8 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.02 -93.61 2.22 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.02 164.92 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' B' ' 83' ' ' SER . . . 79.71 60.51 2.45 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' SER . . . . . 0.422 ' C ' ' O ' ' B' ' 82' ' ' GLY . 68.2 m -23.35 126.25 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 O-C-N 124.53 0.782 . . . . 0.0 112.114 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 60.6 p -103.13 107.55 18.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.071 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.23 102.99 9.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.949 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 63.7 m -140.28 157.06 46.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.96 0.41 . . . . 0.0 111.226 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.89 134.79 33.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.041 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.45 -176.26 5.68 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.052 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -169.01 160.39 9.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.559 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 38.1 t -163.93 144.22 8.36 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.209 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.17 74.68 1.38 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.062 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.74 52.98 0.08 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.33 112.05 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.801 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.81 120.7 31.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.544 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.53 131.72 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.383 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 61.2 m 56.17 49.56 15.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.557 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.5 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.74 128.29 56.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 61.9 m -129.33 101.9 6.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.572 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.77 135.43 12.78 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.71 144.31 51.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.715 0.293 . . . . 0.0 110.607 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m 51.07 48.61 22.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.646 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -85.89 113.3 21.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.443 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.92 143.76 34.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.587 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.63 142.95 30.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.744 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -146.42 146.31 30.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.249 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.1 -52.64 1.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.208 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -134.33 129.95 36.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.624 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 109.14 79.03 1.09 Allowed Glycine 0 C--O 1.222 -0.601 0 C-N-CA 120.346 -0.93 . . . . 0.0 111.887 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' C' ' 49' ' ' GLY . 9.4 m-85 28.28 70.65 0.06 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 95.15 0.47 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.31 94.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 110.374 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -159.23 160.0 34.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.287 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 58.6 m -133.38 138.89 46.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.798 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.86 29.63 2.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.771 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.23 152.56 44.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.391 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m 49.21 38.14 12.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -62.69 134.27 56.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.696 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.1 -176.98 37.86 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -135.94 -35.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.355 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 63.4 m -128.48 148.15 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.385 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.8 55.86 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.53 113.08 24.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.641 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -119.77 131.98 55.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.26 -161.19 0.2 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -51.61 13.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.745 0.307 . . . . 0.0 111.099 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.45 -119.89 4.59 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.65 110.39 18.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.493 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -143.76 160.39 40.82 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.41 122.84 42.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.68 170.27 16.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.926 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . 0.405 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 52.8 Cg_exo -53.5 104.21 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.469 2.113 . . . . 0.0 113.286 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.94 113.75 5.21 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.307 0.379 . . . . 0.0 110.121 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.65 -85.83 0.39 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.02 108.35 16.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.422 . . . . 0.0 110.747 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.86 -85.67 0.03 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.71 174.21 14.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.53 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 81.5 p -136.45 167.54 21.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.64 -134.76 1.8 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.04 -93.52 2.22 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.13 164.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' C' ' 83' ' ' SER . . . 79.68 60.68 2.42 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 83' ' ' SER . . . . . 0.423 ' C ' ' O ' ' C' ' 82' ' ' GLY . 68.6 m -23.48 126.26 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.675 0 O-C-N 124.492 0.76 . . . . 0.0 112.072 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 60.4 p -103.14 107.59 18.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.074 -178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -117.33 102.92 9.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.971 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 63.3 m -140.14 157.01 46.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 111.302 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.85 134.93 33.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.986 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.5 -176.32 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.996 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 90.2 p -168.91 160.53 10.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 38.2 t -163.99 144.21 8.27 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.276 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.25 74.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.043 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.67 53.02 0.08 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.32 112.07 24.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.92 120.62 30.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.499 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.5 131.7 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.415 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m 56.21 49.58 15.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.513 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.587 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.67 128.24 56.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.546 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 61.8 m -129.32 101.89 6.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.636 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.78 135.34 12.71 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -130.61 144.34 51.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.315 . . . . 0.0 110.516 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m 51.04 48.59 22.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.696 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -85.9 113.36 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.365 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.96 143.71 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.627 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -144.57 142.95 30.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -146.42 146.31 30.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.189 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.01 -52.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.13 130.03 36.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.67 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 109.16 78.92 1.08 Allowed Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.326 -0.94 . . . . 0.0 111.886 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' D' ' 49' ' ' GLY . 9.4 m-85 28.36 70.67 0.06 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.97 95.18 0.47 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.35 94.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.458 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 86.7 p -159.22 159.97 34.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 59.2 m -133.39 138.99 46.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.74 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.87 29.54 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.789 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 83.7 p -69.2 152.58 44.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.415 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.19 38.17 12.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.72 134.26 56.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.679 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -176.92 37.81 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -136.0 -35.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.905 0.383 . . . . 0.0 110.335 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 63.7 m -128.43 148.17 50.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.78 55.8 8.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.582 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.45 113.19 25.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.687 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -120.02 131.96 55.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.07 -161.22 0.19 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -51.63 13.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.655 0.264 . . . . 0.0 111.059 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.43 -119.85 4.58 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -116.65 110.31 18.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.557 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.7 160.4 40.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.924 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.42 122.86 42.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.73 170.31 16.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.901 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 52.7 Cg_exo -53.5 104.07 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.548 2.165 . . . . 0.0 113.343 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.77 113.71 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.328 0.393 . . . . 0.0 110.187 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.56 -85.79 0.39 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.09 108.13 15.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.97 0.414 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.65 -85.69 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 88.5 p -160.7 174.19 14.32 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 122.421 -0.458 . . . . 0.0 111.633 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 81.1 p -136.36 167.39 21.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.749 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.56 -135.02 1.81 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.536 -1.025 . . . . 0.0 110.536 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -101.83 -93.87 2.21 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -48.83 165.0 0.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' D' ' 83' ' ' SER . . . 79.62 60.71 2.42 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 83' ' ' SER . . . . . 0.424 ' C ' ' O ' ' D' ' 82' ' ' GLY . 67.8 m -23.48 126.23 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 124.547 0.793 . . . . 0.0 112.151 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 60.3 p -103.15 107.52 18.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.016 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -117.33 102.99 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.944 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 64.2 m -140.3 156.97 46.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 111.271 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 42.5 t -138.75 134.89 34.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.983 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.49 -176.25 5.67 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.101 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 90.5 p -168.96 160.43 10.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.522 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 37.9 t -163.94 144.29 8.37 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.185 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -146.31 75.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.988 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 53.0 0.08 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.31 112.1 24.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.91 120.64 30.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.479 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.48 131.75 42.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.409 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m 56.19 49.59 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.52 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.592 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.72 127.9 56.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 60.2 m -128.83 101.37 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.796 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.57 135.5 12.85 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.69 144.32 51.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 110.621 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m 51.08 48.55 22.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.625 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -85.88 113.07 21.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.466 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -140.44 143.71 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.44 143.24 30.8 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.824 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -146.05 146.54 30.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.367 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.8 -50.47 1.95 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.179 178.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 35.6 t -131.17 128.3 39.75 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.88 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.84 72.1 0.63 Allowed Glycine 0 C--O 1.216 -0.972 0 C-N-CA 117.872 -2.108 . . . . 0.0 113.327 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' E' ' 49' ' ' GLY . 10.3 m-85 28.27 75.5 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.382 0.61 . . . . 0.0 111.065 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.6 92.85 0.53 Allowed Glycine 0 CA--C 1.519 0.322 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 68.27 94.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.371 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -159.3 160.0 34.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 59.3 m -133.24 139.27 46.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.57 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.76 29.46 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.699 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.25 152.55 44.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.365 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m 49.23 38.12 12.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.68 134.27 56.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.672 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.14 -177.04 37.93 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.92 -35.13 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.378 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 62.8 m -128.5 148.1 50.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.395 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 52.35 56.73 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.414 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -95.13 113.62 25.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.488 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -120.15 131.79 55.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.57 -162.22 0.19 Allowed Glycine 0 CA--C 1.526 0.758 0 O-C-N 123.973 0.796 . . . . 0.0 111.211 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.52 -51.92 11.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.7 0.286 . . . . 0.0 111.087 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.31 -119.74 4.55 Favored Glycine 0 N--CA 1.466 0.673 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.81 109.96 17.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.785 0.326 . . . . 0.0 110.544 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.55 160.5 40.51 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.806 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 75.6 m -119.76 123.73 44.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.42 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.4 170.11 17.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 O-C-N 124.216 0.948 . . . . 0.0 109.675 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . 0.415 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 51.3 Cg_exo -54.77 108.06 0.27 Allowed 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.534 1.489 . . . . 0.0 112.36 -177.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -69.3 114.56 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.841 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.92 -85.85 0.39 Allowed Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -115.58 106.11 13.55 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.603 0.239 . . . . 0.0 111.362 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.74 -84.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.671 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -161.18 174.27 13.89 Favored 'General case' 0 CA--C 1.527 0.058 0 CA-C-N 117.266 0.533 . . . . 0.0 111.471 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 81.5 p -136.46 167.05 22.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.55 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.72 -133.63 1.63 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -103.34 -91.82 2.21 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.208 -0.996 . . . . 0.0 111.53 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -50.09 164.14 0.12 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.321 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' E' ' 83' ' ' SER . . . 84.74 53.96 3.06 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 118.396 -1.859 . . . . 0.0 110.584 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 83' ' ' SER . . . . . 0.441 ' C ' ' O ' ' E' ' 82' ' ' GLY . 66.9 m -20.79 125.95 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 O-C-N 124.148 0.557 . . . . 0.0 112.368 -177.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 58.5 p -103.14 106.21 16.68 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.77 -177.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -116.44 101.98 9.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.332 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 64.3 m -140.04 156.73 46.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.935 0.397 . . . . 0.0 111.084 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.78 134.8 33.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.037 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.53 -176.31 5.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.065 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 90.8 p -168.6 160.37 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.465 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 38.3 t -162.96 144.62 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.307 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.09 74.83 1.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.273 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.98 52.54 0.08 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -96.25 111.93 23.83 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.984 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.83 120.7 31.22 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.18 0.3 . . . . 0.0 110.537 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.2 131.65 42.37 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.465 0.478 . . . . 0.0 110.07 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 62.1 m 56.38 49.5 14.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.67 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.542 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.69 128.26 56.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -129.34 101.92 6.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.8 135.51 12.83 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.76 144.34 51.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 110.568 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m 51.01 48.61 22.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.635 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -85.87 113.36 21.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.461 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -140.98 143.79 34.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.63 142.97 30.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -146.38 146.32 30.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.265 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.05 -52.78 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.13 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 40.7 t -134.26 129.75 36.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.625 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 109.3 79.16 1.09 Allowed Glycine 0 CA--C 1.523 0.539 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.928 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' F' ' 49' ' ' GLY . 9.4 m-85 28.01 70.86 0.06 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 178.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.02 95.21 0.48 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.24 94.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 110.417 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 86.2 p -159.19 159.94 34.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -133.32 138.92 46.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.81 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.25 152.6 44.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.363 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m 49.25 38.11 12.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.493 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.69 134.26 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.658 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -177.02 37.9 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -136.0 -35.1 0.78 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.881 0.372 . . . . 0.0 110.377 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -128.39 148.14 50.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.456 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.86 55.87 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.527 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.6 113.11 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -119.81 132.07 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.24 -161.12 0.19 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -51.75 13.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.727 0.298 . . . . 0.0 111.08 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.6 -119.95 4.6 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.6 110.45 18.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.322 . . . . 0.0 110.519 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.74 160.43 40.73 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.938 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.5 122.85 42.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.67 170.36 16.27 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.819 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.48 104.18 0.1 Allowed 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.491 2.127 . . . . 0.0 113.294 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.86 113.68 5.11 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.237 0.335 . . . . 0.0 110.114 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.59 -85.94 0.39 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.51 108.08 15.99 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.86 -85.58 0.03 OUTLIER Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.77 174.18 14.29 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.498 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 81.4 p -136.46 167.56 21.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.451 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.73 -134.71 1.82 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.05 -93.59 2.22 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -48.95 164.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' F' ' 83' ' ' SER . . . 79.58 60.66 2.44 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 83' ' ' SER . . . . . 0.426 ' C ' ' O ' ' F' ' 82' ' ' GLY . 68.9 m -23.49 126.28 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.54 0.788 . . . . 0.0 112.097 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 60.7 p -103.07 107.53 18.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.153 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.33 102.93 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.952 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 63.6 m -140.23 157.02 46.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.03 0.443 . . . . 0.0 111.292 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.79 134.89 34.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.996 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.48 -176.2 5.64 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.027 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 89.4 p -169.03 160.41 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.568 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 38.3 t -163.83 144.26 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.292 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.24 74.98 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.976 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 52.92 0.08 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.31 112.06 24.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.87 120.61 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.527 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.48 131.71 41.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 61.7 m 56.27 49.55 15.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.509 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.581 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -112.65 128.24 56.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 62.5 m -129.31 101.97 6.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.585 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.88 135.55 12.86 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.72 144.31 51.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.562 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m 51.03 48.46 23.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.75 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -85.81 113.29 21.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.45 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -140.89 143.72 34.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.602 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -144.57 142.99 30.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.837 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -146.45 146.28 30.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.256 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.01 -52.76 1.97 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.179 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -134.28 129.89 36.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.613 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 109.14 78.97 1.08 Allowed Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.945 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' G' ' 49' ' ' GLY . 9.4 m-85 28.39 70.68 0.06 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.9 95.15 0.47 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 67.25 94.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -159.2 159.98 34.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.232 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 58.6 m -133.38 138.97 46.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.79 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.818 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.26 152.56 44.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m 49.21 38.2 12.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.518 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.71 134.22 55.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.72 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.08 -176.96 37.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.94 -35.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.916 0.388 . . . . 0.0 110.345 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 62.7 m -128.39 148.1 50.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.463 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.8 55.86 8.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.48 113.08 24.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.695 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -119.82 131.97 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.21 -161.18 0.19 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.09 -51.75 13.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.727 0.298 . . . . 0.0 111.027 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.54 -119.91 4.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.64 110.41 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.73 160.5 40.61 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.92 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.47 122.86 42.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.536 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.72 170.27 16.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.904 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.41 104.1 0.1 OUTLIER 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.449 2.099 . . . . 0.0 113.35 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -66.9 113.8 5.23 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.281 0.363 . . . . 0.0 110.08 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.64 -85.73 0.39 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.06 108.21 15.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.72 -85.71 0.03 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.74 174.26 14.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.521 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 81.7 p -136.5 167.62 21.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.438 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.7 -134.82 1.83 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.01 -93.54 2.21 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.0 164.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' G' ' 83' ' ' SER . . . 79.74 60.57 2.43 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -179.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 83' ' ' SER . . . . . 0.428 ' C ' ' O ' ' G' ' 82' ' ' GLY . 68.2 m -23.36 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.473 0.749 . . . . 0.0 112.102 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 59.9 p -103.25 107.57 18.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.079 -178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.32 102.97 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.931 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 64.4 m -140.21 156.95 46.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.942 0.401 . . . . 0.0 111.263 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.75 134.84 34.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.069 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.45 -176.2 5.64 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.136 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -169.04 160.45 9.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.592 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 37.7 t -163.92 144.21 8.37 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.216 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.21 75.08 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.974 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.52 53.0 0.08 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.36 112.13 24.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 110.78 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.9 120.57 30.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.511 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.42 131.77 42.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.424 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 62.0 m 56.25 49.49 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.563 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -112.67 128.15 56.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 62.3 m -129.28 101.94 6.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.524 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.88 135.51 12.83 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.71 144.39 51.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.502 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 49.0 m 50.97 48.53 22.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -85.91 113.32 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -140.91 143.71 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.51 142.9 30.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.819 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -146.41 146.28 30.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.307 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.13 -52.67 1.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.32 129.9 36.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.661 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 109.21 78.92 1.07 Allowed Glycine 0 CA--C 1.524 0.632 0 C-N-CA 120.373 -0.918 . . . . 0.0 111.939 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' H' ' 49' ' ' GLY . 9.5 m-85 28.3 70.71 0.06 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.93 95.24 0.47 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.22 94.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.93 0.395 . . . . 0.0 110.395 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 86.4 p -159.21 159.98 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.262 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -133.33 138.94 46.58 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.797 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.76 29.65 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.83 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.27 152.52 44.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.443 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m 49.21 38.26 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.541 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.8 134.27 56.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -177.02 37.89 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.96 -35.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.401 . . . . 0.0 110.384 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 62.8 m -128.43 148.16 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.405 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.83 55.8 8.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.51 113.08 24.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -119.84 132.04 55.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.595 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.24 -161.11 0.19 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.1 -51.76 13.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.792 0.33 . . . . 0.0 111.043 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.49 -119.97 4.61 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -116.64 110.3 18.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.71 160.48 40.63 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.41 122.89 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.521 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.77 170.22 16.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.876 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.44 104.19 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.477 2.118 . . . . 0.0 113.218 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -66.93 113.75 5.2 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.264 0.353 . . . . 0.0 110.14 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.68 -85.83 0.39 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.9 108.27 16.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.87 0.366 . . . . 0.0 110.78 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.95 -85.44 0.03 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 88.5 p -160.87 174.24 14.15 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.461 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 81.6 p -136.49 167.6 21.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.436 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.71 -134.75 1.82 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.02 -93.66 2.22 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.06 164.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' H' ' 83' ' ' SER . . . 79.8 60.49 2.44 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 83' ' ' SER . . . . . 0.427 ' C ' ' O ' ' H' ' 82' ' ' GLY . 68.7 m -23.43 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 O-C-N 124.509 0.77 . . . . 0.0 112.074 -179.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 60.0 p -103.16 107.53 18.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.079 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -117.28 102.99 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.0 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 63.3 m -140.25 157.0 46.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.013 0.435 . . . . 0.0 111.23 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 42.7 t -138.83 134.79 33.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.054 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.46 -176.29 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.076 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -168.94 160.43 10.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.576 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 38.2 t -163.89 144.26 8.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.306 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -146.29 75.19 1.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.015 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.37 52.97 0.08 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.27 112.03 24.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.297 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.84 120.63 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.515 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.47 131.76 42.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 61.3 m 56.19 49.55 15.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.552 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.546 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -112.65 128.21 56.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.535 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 61.5 m -129.28 101.86 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.522 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.83 135.52 12.84 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -130.61 144.57 51.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.747 0.308 . . . . 0.0 110.509 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m 50.85 48.49 22.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.681 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -85.86 113.34 21.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.426 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -140.97 143.51 34.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.598 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 8.9 t -144.49 142.7 30.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -146.48 145.39 30.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.376 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -121.43 -53.04 2.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 42.1 t -133.99 130.16 37.21 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.614 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 109.18 78.92 1.08 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.87 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' I' ' 49' ' ' GLY . 9.3 m-85 28.14 72.18 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.16 95.24 0.57 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 67.27 94.07 0.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.52 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -158.75 160.12 35.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 59.2 m -133.42 138.96 46.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.773 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 48.77 29.6 2.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.827 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.24 152.62 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.371 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.18 38.19 12.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -62.66 134.28 56.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.26 -176.94 37.92 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.96 -35.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.373 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 63.3 m -128.4 148.16 50.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.43 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 52.8 55.83 8.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.591 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.55 113.12 24.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 95.8 m -119.73 132.13 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.37 -161.04 0.2 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.27 -51.56 14.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.569 0.223 . . . . 0.0 110.982 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.39 -120.14 4.68 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 16.5 p -116.45 110.43 18.62 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.492 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.87 160.48 40.71 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.767 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.4 123.33 43.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.453 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 170.22 16.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.713 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.58 104.32 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.57 2.18 . . . . 0.0 112.976 -178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -66.96 114.29 5.65 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.48 -85.87 0.39 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -115.7 108.54 16.5 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.77 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.85 -85.15 0.03 OUTLIER Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 89.4 p -160.96 174.22 14.12 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.052 0.453 . . . . 0.0 111.496 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 82.4 p -136.2 168.35 19.56 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.48 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.18 -134.27 1.9 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.38 -92.85 2.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -49.91 164.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' I' ' 83' ' ' SER . . . 79.92 60.61 2.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 83' ' ' SER . . . . . 0.422 ' C ' ' O ' ' I' ' 82' ' ' GLY . 69.2 m -23.34 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.531 0.783 . . . . 0.0 112.121 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 59.9 p -103.04 107.47 18.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.124 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.24 102.85 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.05 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 63.8 m -140.21 156.91 46.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.976 0.417 . . . . 0.0 111.275 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.67 134.83 34.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.046 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.62 -176.93 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.041 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 89.6 p -168.29 160.56 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 38.5 t -163.89 144.61 8.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.957 0.408 . . . . 0.0 111.302 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -146.71 76.36 1.43 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.55 52.98 0.07 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -97.25 111.9 23.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.813 0.34 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.88 120.59 30.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.39 131.75 42.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.407 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 61.4 m 56.22 49.54 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.51 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.602 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.44 114.64 28.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.495 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -142.55 100.74 3.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.647 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.99 166.01 29.85 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -150.95 161.62 42.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 0.0 110.598 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 65.0 m -124.2 150.66 44.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.66 -170.56 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.0 p -78.61 160.63 27.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.051 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 t -144.35 138.98 28.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.657 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -150.71 129.04 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.274 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.12 -52.57 7.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.973 0.416 . . . . 0.0 111.467 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.3 t -132.1 -160.3 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.117 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.94 51.96 31.33 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.456 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 54.74 -175.38 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.88 -59.95 0.81 Allowed Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.148 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.63 -70.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.659 0.266 . . . . 0.0 111.157 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.0 t -109.67 147.71 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.748 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.44 134.25 32.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.662 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.74 152.98 43.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.44 -167.25 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.627 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.35 153.67 28.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -74.29 -33.54 63.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.414 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.1 -169.6 42.39 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.36 135.11 52.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.682 0.277 . . . . 0.0 110.425 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -161.9 -169.56 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.934 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.13 115.3 19.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.368 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -94.28 101.98 13.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.64 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.8 m -121.94 130.44 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.19 -159.44 0.06 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.85 43.16 0.48 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.84 -112.29 0.56 Allowed Glycine 0 C--N 1.338 0.687 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.5 p -130.69 123.81 30.17 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -147.73 168.27 22.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.36 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -133.76 116.18 15.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.87 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.91 162.69 48.98 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -27.83 104.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.14 0 C-N-CA 124.394 3.396 . . . . 0.0 114.814 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -61.45 111.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.535 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.58 105.5 0.37 Allowed Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.6 t80 69.86 92.67 0.08 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.172 0.511 . . . . 0.0 111.318 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.79 -94.17 0.36 Allowed Glycine 0 CA--C 1.526 0.749 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.404 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.8 155.18 18.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 111.018 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.402 ' OG1' ' CZ ' ' B' ' 75' ' ' TYR . 11.9 m -119.93 108.6 14.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.444 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.57 113.33 2.17 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.0 92.73 0.36 Allowed Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -58.86 -166.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.66 0.267 . . . . 0.0 110.585 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.54 -46.8 2.56 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.22 127.49 0.02 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.811 0.338 . . . . 0.0 110.647 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.7 m -148.79 97.87 2.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.114 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.96 120.57 31.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.697 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.5 t -138.69 154.06 48.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.001 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.1 p -138.57 146.32 41.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.099 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -174.27 -172.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.005 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.5 t -172.41 160.64 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.63 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.6 t -163.01 143.82 9.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.973 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -145.95 79.72 1.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.024 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 164.29 55.41 0.02 OUTLIER Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -97.99 116.77 30.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.758 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.57 132.78 42.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.736 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.84 125.44 25.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.665 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.3 m 51.93 34.42 13.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.613 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.26 114.61 28.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 42.7 t -142.58 100.68 3.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.666 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.95 166.05 29.83 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -150.92 161.57 42.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.818 0.342 . . . . 0.0 110.615 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 66.0 m -124.17 150.68 44.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.501 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.56 -170.4 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 96.5 p -78.86 160.65 27.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 12.9 t -144.33 139.13 28.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.681 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -150.92 129.02 11.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.586 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.31 -52.77 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.376 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.79 -159.77 0.99 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.109 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.35 53.48 25.1 Favored Glycine 0 C--O 1.223 -0.586 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.25 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.13 -175.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.133 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.78 -60.02 0.81 Allowed Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.061 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -151.64 -70.89 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 111.109 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -109.48 147.66 32.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.7 t -139.41 134.26 32.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.619 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.8 153.04 43.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.49 -167.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.608 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.5 p -80.41 153.61 28.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -74.33 -33.52 63.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.414 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.01 -169.58 42.51 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.46 135.21 52.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 91.6 p -161.78 -169.02 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.03 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.68 115.32 19.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.251 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.38 102.01 13.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -121.79 130.8 53.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.59 -159.35 0.07 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.86 44.09 0.53 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.21 -112.17 0.48 Allowed Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 71.4 p -130.66 123.66 29.88 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.58 168.75 21.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.136 0.493 . . . . 0.0 111.259 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 40.5 t -134.05 116.09 15.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.823 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.1 162.55 48.9 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -27.6 102.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.194 0 C-N-CA 124.713 3.609 . . . . 0.0 115.1 -178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -59.18 111.97 1.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.931 0.396 . . . . 0.0 110.02 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.23 106.07 0.33 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.402 ' CZ ' ' OG1' ' A' ' 78' ' ' THR . 1.6 t80 69.81 92.66 0.08 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.914 0.388 . . . . 0.0 111.219 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.66 -94.19 0.35 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 85.6 p -91.6 155.23 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 111.094 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.404 ' OG1' ' CZ ' ' C' ' 75' ' ' TYR . 12.2 m -119.65 108.48 14.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.5 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.39 113.24 2.16 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.21 92.7 0.35 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -58.99 -166.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.742 0.306 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.78 -46.6 2.51 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.1 127.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.801 0.334 . . . . 0.0 110.671 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.79 97.82 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.105 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -125.01 120.16 30.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.347 . . . . 0.0 110.695 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 27.2 t -138.13 154.17 49.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.54 146.22 41.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.169 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.15 -172.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.089 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.4 160.54 4.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.592 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 30.5 t -162.97 143.81 9.57 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.216 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -146.04 80.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.966 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.42 55.52 0.02 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.93 116.63 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.59 132.87 42.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.734 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.9 125.4 25.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.689 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m 51.9 34.44 13.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.53 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.36 114.59 28.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.609 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -142.46 100.74 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.99 166.06 29.85 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -150.96 161.62 42.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.613 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 66.4 m -124.26 150.59 45.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.551 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.5 -170.39 3.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 96.3 p -78.91 160.63 27.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 12.9 t -144.26 139.08 28.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.687 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.9 129.0 11.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.581 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.28 -52.62 7.12 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.518 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.91 -159.77 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.105 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.21 53.53 25.41 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.27 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.17 -176.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.162 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.62 -59.97 0.82 Allowed Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.074 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -151.69 -70.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.154 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -109.51 147.71 32.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.46 134.26 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.641 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -124.76 152.95 43.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.48 -167.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.626 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 88.0 p -80.42 153.66 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -74.28 -33.61 63.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.468 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.08 -169.59 42.41 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.4 135.22 52.84 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.395 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -161.76 -169.0 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.69 115.28 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.335 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.46 102.1 14.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.589 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 96.2 m -121.72 130.88 53.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.49 -159.25 0.07 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.96 44.08 0.54 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.15 -112.15 0.48 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 69.4 p -130.75 123.63 29.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.5 168.81 20.96 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.321 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.08 116.16 15.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.811 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.07 162.47 49.23 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.334 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_exo -27.46 102.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.231 0 C-N-CA 124.621 3.547 . . . . 0.0 115.191 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -58.81 112.07 1.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.313 0.383 . . . . 0.0 109.987 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.04 106.11 0.32 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . 0.404 ' CZ ' ' OG1' ' B' ' 78' ' ' THR . 1.7 t80 69.76 92.74 0.08 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.989 0.423 . . . . 0.0 111.208 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.67 -94.11 0.35 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.66 155.24 18.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 0.0 110.966 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.403 ' OG1' ' CZ ' ' D' ' 75' ' ' TYR . 12.6 m -119.67 108.55 14.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.431 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.37 113.38 2.2 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.09 92.68 0.36 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -59.0 -167.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.801 0.334 . . . . 0.0 110.482 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 -46.73 2.47 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.16 127.56 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.885 0.374 . . . . 0.0 110.641 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.82 97.82 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.112 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.97 120.11 30.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.716 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -138.1 154.12 49.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.047 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 90.7 p -138.48 146.22 41.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.169 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.18 -172.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.096 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 46.3 t -172.33 160.47 4.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.652 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.86 143.84 9.77 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.178 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.1 81.04 1.58 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.976 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.33 55.52 0.02 OUTLIER Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -98.01 116.61 30.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.705 0.288 . . . . 0.0 110.773 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.47 132.9 43.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.705 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.95 125.38 25.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.691 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m 51.9 34.47 13.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.703 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.562 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.27 114.55 28.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.555 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -142.46 100.64 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.694 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.88 166.11 29.8 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -150.96 161.63 42.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.615 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 66.1 m -124.25 150.65 45.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.498 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.55 -170.35 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.646 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 96.3 p -78.94 160.76 27.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.41 139.03 28.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.764 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.86 128.95 11.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.27 -52.8 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.328 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.73 -159.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.208 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.28 53.38 25.91 Favored Glycine 0 C--O 1.224 -0.488 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.269 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.12 -176.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.211 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.48 -60.16 0.82 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.079 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -151.57 -70.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.685 0.279 . . . . 0.0 111.165 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -109.53 147.66 32.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.808 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.46 134.22 32.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.623 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.81 153.0 43.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.407 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.56 -167.0 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.666 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.51 153.68 28.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -74.3 -33.55 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.443 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.99 -169.64 42.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.38 135.23 52.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.686 0.279 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 92.4 p -161.83 -169.01 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.942 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.73 115.32 19.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.232 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.5 102.11 14.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.62 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.78 130.84 53.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -159.31 0.07 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.97 44.3 0.55 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.04 -112.04 0.45 Allowed Glycine 0 C--N 1.338 0.646 0 N-CA-C 111.617 -0.593 . . . . 0.0 111.617 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 69.1 p -130.83 123.63 29.51 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.57 168.78 21.1 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.358 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.01 116.11 15.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.817 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.11 162.45 49.2 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.413 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -27.46 102.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.229 0 C-N-CA 124.658 3.572 . . . . 0.0 115.219 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -58.82 112.01 1.49 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.07 106.04 0.32 Allowed Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . 0.403 ' CZ ' ' OG1' ' C' ' 78' ' ' THR . 1.7 t80 69.89 92.65 0.08 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.861 0.362 . . . . 0.0 111.233 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.65 -94.28 0.35 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 86.0 p -91.49 155.21 18.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 0.0 110.999 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 78' ' ' THR . . . . . 0.408 ' OG1' ' CZ ' ' E' ' 75' ' ' TYR . 12.2 m -119.57 108.49 14.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.585 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.38 113.33 2.19 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.14 92.67 0.36 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -58.9 -167.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.56 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.94 -46.73 2.47 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.14 127.54 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.898 0.38 . . . . 0.0 110.63 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.72 97.84 2.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.069 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.97 120.19 30.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.711 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 27.0 t -138.17 154.1 49.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 90.5 p -138.4 146.25 41.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.134 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.19 -172.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.079 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.39 160.63 4.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.651 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t -162.96 143.86 9.62 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.21 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.11 81.18 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.984 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.23 55.54 0.02 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.93 116.55 30.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.691 0.281 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -132.52 132.87 43.09 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.671 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.91 125.37 25.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.662 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m 51.93 34.48 13.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.698 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.504 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -108.39 114.21 27.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -142.14 100.08 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.62 166.0 29.66 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -150.93 161.59 42.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.546 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m -124.21 150.6 45.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.452 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.49 -170.32 3.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.624 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 95.5 p -78.87 160.52 27.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 13.1 t -144.31 138.61 28.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.741 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -150.13 129.81 13.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.61 -49.41 8.58 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.785 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 10.3 t -130.77 -159.17 0.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.718 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.55 48.28 44.63 Favored Glycine 0 C--O 1.219 -0.835 0 C-N-CA 118.848 -1.644 . . . . 0.0 111.876 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 55.4 -175.61 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.572 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.06 -57.47 0.81 Allowed Glycine 0 CA--C 1.519 0.322 0 C-N-CA 119.724 -1.226 . . . . 0.0 111.261 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -152.23 -74.15 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -108.54 147.21 32.08 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.859 0.725 . . . . 0.0 110.144 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.03 134.52 33.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.799 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.7 153.11 42.84 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.65 0.594 . . . . 0.0 110.482 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.6 -167.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.585 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 87.9 p -80.43 153.63 28.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.25 -33.58 63.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.466 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.01 -169.57 42.51 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.39 135.27 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.695 0.284 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 93.3 p -161.89 -169.04 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.938 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.63 115.12 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.358 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -94.31 101.81 13.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.733 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -121.5 130.58 53.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.646 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.14 -161.82 0.07 OUTLIER Glycine 0 CA--C 1.525 0.673 0 O-C-N 124.217 0.948 . . . . 0.0 111.322 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.32 45.31 0.55 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.426 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.0 -112.27 0.48 Allowed Glycine 0 N--CA 1.47 0.901 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 71.2 p -131.05 123.12 28.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.147 0.499 . . . . 0.0 109.929 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.52 168.61 21.5 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.115 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 40.0 t -134.21 117.06 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.564 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.27 162.93 47.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.245 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -31.93 107.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.588 2.859 . . . . 0.0 114.104 -176.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -61.75 114.09 3.12 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.254 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.47 104.81 0.29 Allowed Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . 0.408 ' CZ ' ' OG1' ' D' ' 78' ' ' THR . 1.6 t80 71.94 90.24 0.09 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.607 178.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.47 -92.16 0.38 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 120.594 -0.813 . . . . 0.0 111.934 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 85.3 p -92.53 154.78 18.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 111.035 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 78' ' ' THR . . . . . 0.403 ' OG1' ' CZ ' ' F' ' 75' ' ' TYR . 11.6 m -119.24 107.62 13.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.782 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.88 113.27 2.23 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.11 92.0 0.34 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -58.67 -165.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.59 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.12 -44.42 2.82 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 169.71 127.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.282 0.563 . . . . 0.0 110.44 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 69.4 m -148.9 96.6 2.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.351 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.36 119.18 28.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.749 0.309 . . . . 0.0 110.68 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 26.7 t -137.9 154.07 49.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.41 146.18 41.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.148 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.37 -173.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.065 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -170.27 161.37 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.591 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -162.8 144.07 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.417 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -145.88 80.94 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.987 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.3 55.45 0.02 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -96.39 116.35 28.9 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.948 -0.148 . . . . 0.0 111.161 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.49 132.93 43.2 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.242 0.339 . . . . 0.0 110.75 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.55 125.39 25.64 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.507 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 72.8 m 51.9 34.55 13.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.494 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.29 114.63 28.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.55 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 42.7 t -142.49 100.68 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.653 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.02 166.01 29.86 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -150.88 161.5 42.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 110.716 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 66.5 m -124.14 150.67 44.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.509 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.56 -170.36 3.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.583 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 96.0 p -78.93 160.61 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.3 139.07 28.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.702 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.83 129.11 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.637 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.44 -52.74 6.94 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.348 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.81 -159.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.15 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.22 53.6 25.0 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.255 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.08 -175.82 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.079 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.59 -60.21 0.82 Allowed Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.59 -70.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.717 0.294 . . . . 0.0 111.118 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 46.6 t -109.42 147.68 32.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.49 134.36 32.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.546 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.92 153.01 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.53 -167.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.578 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 88.4 p -80.48 153.6 28.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -74.29 -33.5 63.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.406 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.06 -169.57 42.44 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.43 135.29 52.92 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.433 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 90.9 p -161.8 -168.94 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.006 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.8 115.24 19.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.335 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.45 102.02 13.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.68 130.86 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -159.22 0.07 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.01 44.32 0.56 Allowed 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.96 -112.09 0.45 Allowed Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 69.2 p -130.82 123.7 29.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.59 168.83 20.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.31 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.03 116.12 15.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.846 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.04 162.52 49.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.348 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -27.52 102.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.223 0 C-N-CA 124.642 3.561 . . . . 0.0 115.193 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -58.84 112.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.911 0.386 . . . . 0.0 110.008 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.88 106.13 0.31 Allowed Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . 0.403 ' CZ ' ' OG1' ' E' ' 78' ' ' THR . 1.6 t80 69.76 92.75 0.08 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.991 0.424 . . . . 0.0 111.285 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.76 -94.07 0.36 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 85.8 p -91.64 155.22 18.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.773 0.321 . . . . 0.0 111.041 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 78' ' ' THR . . . . . 0.403 ' OG1' ' CZ ' ' G' ' 75' ' ' TYR . 12.4 m -119.62 108.49 14.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.35 113.35 2.2 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.08 92.83 0.36 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -58.99 -167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.773 0.321 . . . . 0.0 110.493 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.85 -46.63 2.49 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.12 127.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.809 0.338 . . . . 0.0 110.707 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 68.1 m -148.72 97.76 2.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.103 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.9 120.25 31.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.758 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 26.9 t -138.2 154.14 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.001 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.44 146.21 41.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.211 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.16 -172.88 0.74 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.056 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.35 160.49 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.59 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t -162.89 143.86 9.73 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.149 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.13 81.12 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.978 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.19 55.6 0.02 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.87 116.55 30.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.697 0.285 . . . . 0.0 110.922 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.55 132.87 43.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.676 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.89 125.44 25.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.635 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m 51.93 34.34 13.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.752 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.525 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.35 114.59 28.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.539 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 42.6 t -142.49 100.71 3.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.651 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.02 165.98 29.86 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -150.82 161.52 42.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.334 . . . . 0.0 110.655 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m -124.11 150.7 44.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.566 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.58 -170.37 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.577 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 95.3 p -78.84 160.58 27.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.26 139.01 28.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.758 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.82 129.04 11.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.582 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.32 -52.77 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.374 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.79 -159.67 0.98 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.138 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.19 53.55 25.35 Favored Glycine 0 C--O 1.223 -0.549 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.259 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.13 -175.93 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.184 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.54 -60.11 0.82 Allowed Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.166 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.6 -70.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.699 0.285 . . . . 0.0 111.165 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 46.5 t -109.52 147.61 32.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -139.32 134.28 32.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.654 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.85 153.01 43.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.58 -167.04 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.42 153.63 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.18 -33.67 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.474 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.98 -169.52 42.52 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.53 135.23 52.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.713 0.292 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 91.6 p -161.77 -169.02 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.942 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.66 115.31 19.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.276 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.45 102.04 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.671 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.61 130.78 53.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.56 -159.19 0.07 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.0 44.33 0.55 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.02 -112.14 0.46 Allowed Glycine 0 C--N 1.337 0.638 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 69.6 p -130.72 123.65 29.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.56 168.86 20.88 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.281 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -134.1 116.12 15.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.736 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.16 162.54 48.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.285 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -27.46 102.44 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.255 0 C-N-CA 124.745 3.63 . . . . 0.0 115.079 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -58.81 112.08 1.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.904 0.383 . . . . 0.0 109.986 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.06 106.11 0.32 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . 0.403 ' CZ ' ' OG1' ' F' ' 78' ' ' THR . 1.6 t80 69.74 92.69 0.08 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 111.275 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.73 -94.17 0.36 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.58 155.34 18.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.967 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 78' ' ' THR . . . . . 0.403 ' OG1' ' CZ ' ' H' ' 75' ' ' TYR . 12.7 m -119.76 108.5 14.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.485 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.38 113.36 2.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.11 92.68 0.36 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -58.92 -167.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.76 0.314 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 -46.61 2.47 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.12 127.5 0.02 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.834 0.349 . . . . 0.0 110.562 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.76 97.85 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.099 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.94 120.16 30.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.756 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 26.9 t -138.14 154.13 49.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.46 146.24 41.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.181 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.19 -172.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.029 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.34 160.56 5.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.624 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.91 143.84 9.69 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.186 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.14 81.25 1.59 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.964 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.19 55.53 0.02 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.95 116.63 30.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.72 0.295 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.53 132.84 43.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.705 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.95 125.52 25.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.623 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 72.5 m 51.82 34.39 13.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.736 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.561 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -108.32 114.61 28.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.57 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -142.46 100.67 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.681 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.96 166.05 29.84 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -150.97 161.56 42.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 0.0 110.626 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 66.4 m -124.16 150.7 44.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.46 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.59 -170.41 3.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.587 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 95.2 p -78.87 160.65 27.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.35 139.05 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.663 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.84 129.08 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.581 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.35 -52.74 6.96 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.4 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.85 -159.81 1.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.062 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.4 53.47 24.96 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.248 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.03 -175.84 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.186 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.6 -60.04 0.82 Allowed Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.082 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -151.58 -70.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.752 0.31 . . . . 0.0 111.168 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 46.5 t -109.44 147.6 32.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.44 134.18 31.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.659 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.74 152.94 43.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.454 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.48 -167.09 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.673 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 88.8 p -80.46 153.65 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.27 -33.53 63.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.467 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.07 -169.53 42.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.45 135.3 52.89 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.388 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 92.5 p -161.81 -168.89 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.001 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.81 115.29 19.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.26 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.5 102.01 13.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.8 m -121.71 130.92 53.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.65 -159.16 0.07 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.04 44.44 0.56 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.571 0.212 . . . . 0.0 111.571 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.9 -112.22 0.46 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 69.5 p -130.69 123.53 29.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.44 168.92 20.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.09 0.471 . . . . 0.0 111.282 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -134.19 116.03 14.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.844 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.06 162.44 49.38 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.296 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -27.57 102.55 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.216 0 C-N-CA 124.645 3.563 . . . . 0.0 115.11 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -58.87 112.1 1.53 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.332 0.395 . . . . 0.0 110.011 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.16 106.04 0.33 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . 0.403 ' CZ ' ' OG1' ' G' ' 78' ' ' THR . 1.7 t80 69.85 92.68 0.08 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.892 0.377 . . . . 0.0 111.188 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.74 -94.08 0.36 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 85.7 p -91.5 155.22 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 111.056 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 78' ' ' THR . . . . . 0.401 ' OG1' ' CZ ' ' I' ' 75' ' ' TYR . 12.4 m -119.63 108.54 14.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.35 113.37 2.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.1 92.73 0.36 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -59.02 -167.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.532 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.87 -46.5 2.49 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.07 127.55 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.803 0.335 . . . . 0.0 110.639 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 68.3 m -148.72 97.79 2.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.152 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.94 120.18 30.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.726 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 27.0 t -138.2 154.11 49.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 90.5 p -138.45 146.24 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.154 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.15 -172.93 0.75 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.004 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -172.23 160.63 5.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.621 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.91 143.84 9.7 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.202 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.07 81.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.934 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.1 55.58 0.02 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.91 116.64 30.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.742 0.306 . . . . 0.0 110.8 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.58 132.87 43.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.732 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.88 125.42 25.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.636 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 72.8 m 51.85 34.38 13.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.502 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.28 114.5 28.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 42.9 t -142.44 100.84 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.667 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.11 165.92 29.89 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -150.82 161.6 42.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.693 0.282 . . . . 0.0 110.676 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 66.6 m -124.12 150.7 44.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.493 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.51 -170.4 3.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.69 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 95.0 p -78.84 160.79 27.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.064 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -144.56 138.98 27.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.757 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -150.68 130.19 13.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.547 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -82.78 -52.82 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.065 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 10.9 t -131.82 -159.62 0.98 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.25 53.5 25.4 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.331 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.12 -175.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.057 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.74 -60.08 0.81 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.67 -70.98 0.16 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.707 0.289 . . . . 0.0 111.119 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -109.6 147.11 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.852 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -138.89 134.24 32.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.725 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.77 153.02 43.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.439 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.46 -167.35 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.628 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 89.7 p -80.19 153.7 28.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -74.39 -33.46 63.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.451 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.15 -169.54 42.29 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.47 135.46 53.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.723 0.297 . . . . 0.0 110.281 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 90.0 p -162.04 -169.13 2.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.952 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.68 115.22 19.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.359 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.47 101.97 13.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.685 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -121.29 131.12 54.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.86 -159.03 0.07 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -79.11 45.46 0.63 Allowed 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.873 -0.193 . . . . 0.0 111.394 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.1 -112.02 0.39 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 63.6 p -130.6 123.93 30.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.96 168.95 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.169 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 40.7 t -134.22 115.99 14.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.861 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.69 162.54 50.02 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -28.25 103.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 124.603 3.535 . . . . 0.0 114.74 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -59.05 112.55 1.72 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.857 0.36 . . . . 0.0 110.036 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.19 106.13 0.33 Allowed Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . 0.401 ' CZ ' ' OG1' ' H' ' 78' ' ' THR . 1.7 t80 69.86 92.87 0.08 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.673 0.273 . . . . 0.0 111.037 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.75 -93.61 0.37 Allowed Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 85.8 p -91.69 155.41 18.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.832 0.348 . . . . 0.0 110.982 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 14.2 m -119.61 108.26 14.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.559 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.99 113.46 2.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.14 92.8 0.36 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -59.0 -167.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.943 0.402 . . . . 0.0 110.468 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.05 -46.32 2.45 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.04 127.63 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.855 0.359 . . . . 0.0 110.53 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -148.86 97.72 2.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.203 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.86 120.17 30.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.73 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -138.24 153.86 49.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 90.1 p -138.23 146.15 42.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.102 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.38 -173.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.962 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -171.26 160.76 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.729 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 30.5 t -162.83 144.04 9.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.848 0.356 . . . . 0.0 111.264 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -146.46 82.36 1.59 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.805 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 162.39 55.53 0.02 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.89 116.4 30.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.53 132.83 43.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.689 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.89 125.49 25.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 72.4 m 51.83 34.48 13.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.742 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.487 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -114.17 134.14 55.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.641 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.7 94.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.49 142.99 13.31 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -119.07 38.72 3.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.459 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.2 t -56.3 140.3 45.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.539 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -105.65 -167.8 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.45 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -58.18 131.91 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.979 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.6 m -118.01 130.43 56.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.184 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -143.1 121.78 12.57 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.465 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 t -86.18 -39.09 17.0 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.975 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -133.64 175.09 9.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.943 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.12 70.12 1.22 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 30.99 71.85 0.07 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.069 0.511 . . . . 0.0 112.305 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.25 94.49 0.12 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.05 91.6 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.3 t -149.43 146.02 27.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.783 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -127.57 121.45 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.618 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -71.77 -29.45 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.29 -161.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -57.94 138.88 55.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.394 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.75 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.78 -179.13 52.79 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.81 95.27 9.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.3 154.95 37.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -50.07 126.2 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -135.25 102.58 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.9 p -100.63 146.26 27.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.1 0.476 . . . . 0.0 110.632 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.12 -160.49 0.55 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.73 -46.16 14.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.965 0.412 . . . . 0.0 110.941 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.82 -102.84 2.41 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.6 p -112.81 116.63 30.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.144 0.497 . . . . 0.0 110.345 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -169.21 143.86 3.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.973 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.5 m -110.16 127.66 55.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.06 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.38 169.11 16.09 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -49.33 105.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.193 1.928 . . . . 0.0 113.024 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -67.22 112.64 4.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.932 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.04 116.14 0.23 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.0 t80 58.83 87.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.187 0.518 . . . . 0.0 110.88 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.22 88.37 0.77 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.22 125.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.22 114.75 20.24 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.21 0.529 . . . . 0.0 109.747 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.25 -88.23 0.21 Allowed Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.58 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.18 134.26 10.01 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -81.19 -167.99 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.63 0.253 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.12 -46.07 1.24 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 171.24 131.54 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.732 0.301 . . . . 0.0 110.667 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.39 -71.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.997 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 48.69 70.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.102 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.1 t -135.81 133.2 37.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.879 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.0 m -121.6 151.21 40.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.377 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.38 -173.52 0.65 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.961 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -167.53 160.56 13.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.749 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.7 t -163.82 131.19 3.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.94 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -145.15 92.97 2.32 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 157.62 40.93 0.02 OUTLIER Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.48 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.5 133.72 41.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.681 0.277 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.42 137.29 35.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.913 0.387 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.75 130.08 31.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.166 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t 58.14 51.43 8.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.492 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.496 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -114.12 134.13 55.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.72 94.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.42 143.01 13.37 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -118.88 38.14 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.49 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -55.78 140.32 42.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -105.65 -167.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.8 m -58.43 131.87 52.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.993 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -117.85 130.66 56.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.215 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -143.33 121.81 12.43 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.49 -39.09 16.62 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.684 -0.407 . . . . 0.0 111.917 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.53 175.48 9.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.952 0.406 . . . . 0.0 110.939 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.62 71.9 0.87 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.24 72.43 0.05 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.69 94.48 0.14 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.25 91.4 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 45.2 t -149.43 145.85 27.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.843 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.7 t -127.6 121.46 30.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.604 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.4 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.29 -161.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -57.98 138.94 55.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.378 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.74 152.81 28.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.82 -179.15 52.79 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.76 95.2 8.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.966 0.412 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 77.6 p -151.32 154.5 36.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.59 126.14 12.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.27 102.36 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.611 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.25 146.61 26.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.709 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.48 -160.4 0.63 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.85 -46.13 15.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.723 0.297 . . . . 0.0 110.748 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.89 -103.19 2.46 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 24.8 p -112.29 116.63 30.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.813 0.339 . . . . 0.0 110.417 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.15 143.86 3.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.15 127.67 55.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.091 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.44 169.02 16.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.051 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 53.1 Cg_exo -49.42 103.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.4 2.067 . . . . 0.0 113.31 -178.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.99 112.82 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.638 0.586 . . . . 0.0 110.338 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.97 116.34 0.23 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 58.72 87.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.737 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.29 88.62 0.78 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.43 124.11 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.89 114.72 19.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.186 178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.99 -88.26 0.2 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.08 134.4 9.73 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -81.36 -168.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.689 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.23 -45.79 1.27 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.18 131.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.736 0.303 . . . . 0.0 110.651 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 43.4 t -98.32 -71.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.073 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.71 70.66 0.44 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.034 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 13.8 t -135.79 133.2 37.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 66.1 m -121.56 151.03 40.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.337 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.28 -173.48 0.66 Allowed 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.09 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 92.5 p -167.47 160.42 13.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.731 0.3 . . . . 0.0 110.747 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 45.8 t -163.77 131.22 3.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.16 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.14 94.29 2.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.77 41.08 0.02 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.55 133.6 41.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 0.0 110.471 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -139.47 137.22 35.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 130.12 31.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.198 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t 58.16 51.32 8.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.515 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.608 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -114.14 134.06 55.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.604 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.76 94.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.39 142.96 13.32 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -118.82 38.13 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.533 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 40.2 t -55.7 140.4 41.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.547 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -105.68 -167.6 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.333 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -58.54 131.84 51.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 0.0 110.985 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 91.4 m -117.73 130.58 56.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.251 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -143.3 121.74 12.4 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.46 -39.16 16.58 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.912 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.48 175.49 9.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.995 0.426 . . . . 0.0 110.829 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.66 71.88 0.88 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.17 72.49 0.05 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.74 94.48 0.14 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 68.23 91.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 45.4 t -149.34 145.84 27.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -127.53 121.44 30.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.634 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.33 64.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.24 -161.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.431 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 69.0 m -57.98 138.96 55.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.395 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.77 28.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.671 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.89 -179.15 52.78 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.72 95.14 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.389 . . . . 0.0 110.804 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.34 154.41 36.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.42 126.12 12.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.745 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.3 102.38 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -100.16 146.54 26.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.755 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.41 -160.34 0.61 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -46.12 15.8 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.689 0.281 . . . . 0.0 110.754 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.92 -103.23 2.46 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 25.0 p -112.36 116.61 30.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.745 0.307 . . . . 0.0 110.378 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -169.13 144.01 3.12 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -110.24 127.63 55.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.107 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.39 169.01 16.36 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.033 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 72' ' ' PRO . . . . . 0.406 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 53.4 Cg_exo -49.41 102.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.446 2.098 . . . . 0.0 113.304 -178.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.7 112.73 3.35 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.641 0.588 . . . . 0.0 110.407 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.02 116.31 0.23 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 4.5 t80 58.72 87.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.75 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.24 88.63 0.78 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.48 124.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.89 114.77 19.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.393 . . . . 0.0 110.262 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.06 -88.25 0.2 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.08 134.33 9.76 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.421 -0.671 . . . . 0.0 111.421 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -81.24 -168.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.719 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.3 -45.79 1.27 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.15 131.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.747 0.308 . . . . 0.0 110.664 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.36 -71.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.051 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.91 70.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.992 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.71 133.09 37.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.83 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.51 151.03 40.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.388 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.24 -173.51 0.67 Allowed 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.103 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -167.41 160.39 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.759 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 45.5 t -163.75 131.32 3.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.127 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.34 94.5 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.63 41.12 0.02 OUTLIER Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.53 133.56 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 0.0 110.46 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -139.48 137.22 35.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 130.2 31.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.199 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t 57.97 51.43 8.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.918 0.389 . . . . 0.0 110.554 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.599 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -114.12 134.2 55.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.604 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.7 94.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.38 143.0 13.37 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -118.85 38.22 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.311 . . . . 0.0 110.408 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 40.0 t -55.86 140.48 42.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -105.74 -167.6 1.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.347 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.5 131.9 52.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.853 0.358 . . . . 0.0 110.973 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -117.99 130.34 56.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.276 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.09 121.9 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.66 -39.06 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.965 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.53 175.52 9.35 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.918 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 49' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 67.65 71.85 0.88 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 50' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' D' ' 49' ' ' GLY . 13.1 m-85 29.24 72.72 0.05 Allowed 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.96 94.47 0.14 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 68.25 91.26 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.833 0.349 . . . . 0.0 110.087 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 45.7 t -149.37 145.9 27.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -127.51 121.46 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.648 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -71.73 -29.34 64.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.17 -161.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.412 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -57.79 138.93 55.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.392 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.86 152.78 28.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.601 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.91 -179.15 52.78 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.69 95.14 8.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 110.821 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.26 154.4 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.46 126.1 12.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.672 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.23 102.44 5.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.53 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 81.4 p -100.49 146.47 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.818 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.32 -160.31 0.58 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -45.69 16.26 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.721 0.296 . . . . 0.0 110.776 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.42 -103.01 2.47 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 25.2 p -112.39 116.52 30.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.655 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.06 144.07 3.17 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.891 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -110.26 127.76 55.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.118 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.52 169.04 16.14 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 72' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 52.3 Cg_exo -49.44 102.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.405 2.07 . . . . 0.0 113.355 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.68 112.64 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.668 0.605 . . . . 0.0 110.41 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.01 116.2 0.23 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 58.85 87.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.898 0.38 . . . . 0.0 110.816 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.21 88.62 0.79 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.77 124.1 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.0 114.76 19.15 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.35 178.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.07 -88.3 0.2 Allowed Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.11 134.4 9.8 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.23 -168.03 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.765 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.19 -45.75 1.28 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.24 131.59 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.674 0.273 . . . . 0.0 110.656 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 43.3 t -98.27 -71.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.049 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 48.83 70.53 0.45 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.048 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.72 133.21 37.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.756 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.56 150.99 40.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.23 -173.63 0.68 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.106 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 92.5 p -167.32 160.4 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.74 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 45.8 t -163.78 131.2 3.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.115 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.32 94.65 2.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.57 41.2 0.02 OUTLIER Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.474 -0.651 . . . . 0.0 111.474 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.55 133.59 41.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.474 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.46 137.23 35.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.65 130.2 31.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.272 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 47.8 t 57.99 51.4 8.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.591 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.531 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -114.15 134.4 54.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.61 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t 51.21 94.49 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.411 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.68 142.97 13.22 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -118.8 38.09 3.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.757 0.313 . . . . 0.0 110.523 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -55.86 140.42 42.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -105.63 -167.6 1.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.393 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.41 131.9 52.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.927 0.394 . . . . 0.0 110.984 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 91.1 m -117.99 130.7 56.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.198 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -143.6 122.57 12.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.106 0.955 . . . . 0.0 111.036 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -88.86 -38.94 14.19 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.076 -1.015 . . . . 0.0 111.34 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -130.86 175.53 8.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.811 0.339 . . . . 0.0 111.477 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 49' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 68.93 70.91 1.05 Allowed Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.222 177.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 50' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' E' ' 49' ' ' GLY . 14.0 m-85 26.65 76.88 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.087 0.555 . . . . 0.0 111.356 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.24 92.26 0.14 Allowed Glycine 0 CA--C 1.518 0.238 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 69.08 91.54 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.919 0.39 . . . . 0.0 110.007 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 45.5 t -149.44 145.91 27.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -127.35 121.82 32.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.489 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -71.96 -29.42 64.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.678 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.31 -161.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.387 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -58.04 138.93 55.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.84 152.73 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.703 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.84 -179.06 52.76 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.82 95.2 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 110.796 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -151.35 154.43 36.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.57 125.94 12.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.695 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -135.01 101.99 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.727 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -99.98 146.35 26.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.546 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.61 -161.99 0.59 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.56 -47.2 10.24 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.715 0.293 . . . . 0.0 110.62 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.52 -103.08 2.38 Favored Glycine 0 N--CA 1.464 0.54 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 25.0 p -112.53 115.89 29.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.895 0.409 . . . . 0.0 110.409 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.3 144.63 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.801 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 73.6 m -110.62 128.46 55.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.972 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.92 168.68 17.14 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.117 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 72' ' ' PRO . . . . . 0.429 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 61.0 Cg_exo -51.11 107.9 0.2 Allowed 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 121.059 1.173 . . . . 0.0 112.102 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -67.74 114.19 6.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.878 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.71 115.03 0.21 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 60.67 85.99 0.11 Allowed 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.787 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -99.84 91.87 1.07 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.788 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 2.4 p 61.22 125.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.912 0.387 . . . . 0.0 111.898 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.6 113.93 19.13 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.144 0.497 . . . . 0.0 109.915 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.99 -88.97 0.16 Allowed Glycine 0 CA--C 1.543 1.826 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.312 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -45.14 133.93 7.85 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -80.96 -167.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.69 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.9 -43.46 1.67 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 169.08 132.06 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.989 0.423 . . . . 0.0 110.346 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 43.0 t -98.48 -71.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.676 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 48.89 70.75 0.43 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.57 132.87 37.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.724 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.48 151.04 40.71 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.421 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.27 -173.64 0.67 Allowed 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 121.397 0.618 . . . . 0.0 111.049 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -166.69 160.65 15.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.821 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 46.0 t -162.88 131.28 3.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.409 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -144.81 93.71 2.44 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.173 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.76 41.75 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.33 133.44 40.7 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.969 -0.136 . . . . 0.0 110.804 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.56 137.21 35.22 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.853 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.41 130.3 32.49 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.801 0.688 . . . . 0.0 110.005 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 47.4 t 58.19 51.38 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.56 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -114.15 134.14 55.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.81 94.28 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.51 143.09 13.43 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -118.99 38.14 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.57 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -55.7 140.31 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.527 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -105.61 -167.61 1.34 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.36 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.47 131.95 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.958 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -117.85 130.67 56.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.18 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -143.4 121.89 12.44 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.43 -39.3 16.49 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.922 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.4 175.59 9.28 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.881 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.55 72.04 0.85 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 28.88 72.63 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.83 94.36 0.14 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.27 91.38 0.09 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.831 0.348 . . . . 0.0 110.063 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 45.6 t -149.45 145.83 27.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.846 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.9 t -127.54 121.42 30.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.658 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -71.77 -29.35 64.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.3 -161.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.44 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.0 m -57.85 138.88 55.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.416 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.8 152.72 28.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.652 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.85 -179.05 52.75 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.78 95.14 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.383 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 77.6 p -151.31 154.27 36.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.44 126.19 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.68 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.4 102.46 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 81.4 p -100.06 146.82 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.955 0.407 . . . . 0.0 110.497 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.63 -160.1 0.64 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.99 -46.41 16.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.68 0.276 . . . . 0.0 110.766 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.13 -103.3 2.45 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 25.0 p -112.2 117.0 31.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 110.312 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.38 144.05 2.98 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.32 127.62 55.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.12 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.43 169.02 16.29 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.013 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 72' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 53.5 Cg_exo -49.41 102.83 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.435 2.09 . . . . 0.0 113.351 -178.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.57 112.68 3.27 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.76 0.663 . . . . 0.0 110.491 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.9 116.54 0.23 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 4.5 t80 58.9 87.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.769 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.22 88.68 0.79 Allowed Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.42 124.03 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.94 114.84 19.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.977 0.418 . . . . 0.0 110.237 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.93 -88.25 0.2 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.07 134.33 9.74 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.27 -168.21 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.362 . . . . 0.0 110.679 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.38 -45.8 1.27 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.16 131.6 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.781 0.324 . . . . 0.0 110.637 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 43.4 t -98.27 -71.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.063 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.83 70.57 0.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.019 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.71 133.22 37.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.798 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -121.59 151.08 40.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.23 -173.57 0.67 Allowed 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.142 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -167.49 160.38 13.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.745 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 45.2 t -163.81 131.27 3.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.15 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.08 94.77 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.016 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.39 41.1 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.45 133.44 42.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.678 0.275 . . . . 0.0 110.482 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.37 137.19 35.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.956 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.69 130.17 31.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.146 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 47.7 t 58.06 51.41 8.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.449 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.581 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -114.08 134.18 55.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.548 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.75 94.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.959 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.5 142.97 13.3 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -118.77 37.99 3.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 110.518 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -55.69 140.43 41.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.541 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -105.75 -167.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.356 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.32 131.91 52.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.055 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -117.88 130.61 56.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.183 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.39 121.84 12.41 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.6 -39.11 16.46 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.891 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.5 175.5 9.37 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.909 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.61 71.88 0.88 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.17 72.56 0.05 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.81 94.38 0.14 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 68.34 91.32 0.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 45.7 t -149.39 145.94 27.23 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.778 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.9 t -127.61 121.43 30.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -71.75 -29.38 64.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.3 -161.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.392 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.1 m -57.9 138.93 55.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.433 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.85 152.72 28.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.652 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.84 -179.02 52.74 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.86 95.19 8.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.793 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -151.35 154.32 36.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.43 126.14 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.675 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -135.3 102.47 5.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.485 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.25 146.64 26.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.665 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.55 -160.17 0.63 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.96 -46.07 16.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.719 0.295 . . . . 0.0 110.797 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.84 -103.23 2.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -112.29 116.78 30.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 110.353 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.22 144.06 3.08 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 73.4 m -110.35 127.65 55.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.064 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.49 168.96 16.46 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.012 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 72' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' H' ' 72' ' ' PRO . 53.4 Cg_exo -49.24 102.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.427 2.084 . . . . 0.0 113.311 -178.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.69 112.77 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.649 0.593 . . . . 0.0 110.407 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.11 116.31 0.24 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 4.5 t80 58.8 87.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.26 88.53 0.78 Allowed Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.7 123.97 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.88 114.7 18.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.882 0.373 . . . . 0.0 110.225 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.92 -88.2 0.2 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.05 134.37 9.68 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -81.28 -168.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.684 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.32 -45.71 1.28 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.09 131.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.792 0.329 . . . . 0.0 110.613 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 43.1 t -98.42 -71.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.016 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 48.75 70.57 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.054 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.73 133.13 37.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.795 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 66.1 m -121.45 151.06 40.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.27 -173.49 0.66 Allowed 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.013 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -167.46 160.35 13.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.737 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 45.1 t -163.67 131.26 3.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.155 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.21 94.76 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.43 41.15 0.02 OUTLIER Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.53 133.6 41.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 110.436 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.48 137.23 35.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.65 130.11 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.301 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 47.5 t 58.2 51.28 8.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.538 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.529 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -114.02 134.16 55.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.646 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.7 94.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.49 143.02 13.35 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -118.87 37.95 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.329 . . . . 0.0 110.491 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 40.2 t -55.57 140.36 41.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.57 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -105.62 -167.61 1.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.418 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.41 131.87 51.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 111.011 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -117.89 130.6 56.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.258 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.29 121.96 12.57 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.67 -39.16 16.32 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.855 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.52 175.42 9.44 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.907 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.73 71.9 0.87 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 29.07 72.54 0.05 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.67 94.41 0.13 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 68.19 91.29 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.862 0.363 . . . . 0.0 110.036 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 45.8 t -149.25 145.93 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.821 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -127.62 121.38 30.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.639 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.36 64.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 10.0 t 51.29 -161.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.385 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -57.97 138.99 55.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.82 152.8 28.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.626 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.98 -179.0 52.71 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.84 95.15 8.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.974 0.416 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 77.8 p -151.29 154.35 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.46 126.1 12.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.688 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.24 102.35 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.602 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.13 146.72 26.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.732 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.65 -160.21 0.66 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -46.09 15.75 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.67 0.271 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.89 -103.32 2.48 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 25.2 p -112.27 116.81 31.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.744 0.307 . . . . 0.0 110.438 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -169.24 144.0 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.25 127.58 55.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.116 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.37 168.95 16.6 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.065 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 72' ' ' PRO . . . . . 0.414 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 53.0 Cg_exo -49.42 102.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.435 2.09 . . . . 0.0 113.297 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.55 112.76 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.755 0.659 . . . . 0.0 110.463 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.05 116.32 0.23 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 4.4 t80 58.99 87.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 0.0 110.664 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.25 88.62 0.78 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.58 123.98 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.8 114.79 18.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 110.257 178.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.94 -88.24 0.2 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.17 134.37 9.93 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -81.2 -168.1 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.769 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.19 -45.77 1.27 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.21 131.68 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.736 0.303 . . . . 0.0 110.688 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.42 -71.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.999 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.73 70.57 0.45 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 13.8 t -135.71 133.16 37.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.764 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -121.49 151.08 40.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.42 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.32 -173.6 0.66 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.057 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 92.9 p -167.4 160.45 13.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.768 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 45.2 t -163.76 131.19 3.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.15 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.25 95.01 2.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.995 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.32 41.18 0.02 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.56 133.64 41.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 0.0 110.415 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.53 137.22 35.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.76 130.14 31.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.178 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t 58.07 51.39 8.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.522 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.571 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -114.08 134.11 55.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.78 94.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.54 143.05 13.37 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -118.68 37.46 4.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -55.26 140.35 39.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.574 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -105.45 -167.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.407 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.37 132.16 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.949 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 89.8 m -118.25 130.68 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.24 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -143.06 123.66 14.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.722 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -88.65 -39.19 14.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.465 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.56 175.41 9.45 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.828 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 67.73 72.01 0.86 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' I' ' 49' ' ' GLY . 13.1 m-85 28.96 73.93 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.88 94.36 0.17 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 68.05 90.97 0.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.819 0.343 . . . . 0.0 110.143 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -149.0 145.93 27.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.861 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -127.62 121.54 30.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -71.76 -29.49 64.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.572 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 10.0 t 51.34 -161.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.416 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -57.98 138.93 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.354 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.78 28.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.697 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.83 -178.97 52.71 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.84 94.99 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 78.2 p -151.12 154.36 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.6 126.22 13.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.42 102.4 5.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.492 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 81.9 p -99.91 147.06 25.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.99 -159.97 0.72 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.31 -45.85 17.73 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.431 0.158 . . . . 0.0 110.636 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.82 -103.47 2.51 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 26.5 p -112.09 116.63 30.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.05 144.12 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.687 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -110.23 127.74 55.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.089 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 169.09 16.07 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.904 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 72' ' ' PRO . . . . . 0.4 ' O ' ' HA ' ' H' ' 72' ' ' PRO . 53.3 Cg_exo -49.5 102.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.59 2.194 . . . . 0.0 112.984 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -64.56 113.11 3.49 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.561 0.538 . . . . 0.0 110.505 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.12 116.56 0.24 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 4.3 t80 58.68 88.33 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.505 0.193 . . . . 0.0 110.562 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.28 89.4 0.83 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 62.84 123.98 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.66 114.72 18.8 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.334 179.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.73 -88.03 0.2 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.678 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.2 134.65 9.85 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.44 -168.15 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.453 . . . . 0.0 110.631 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.29 -45.42 1.32 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.04 131.75 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.766 0.317 . . . . 0.0 110.598 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 43.1 t -98.36 -71.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.101 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.79 70.56 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.968 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.65 133.13 37.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.795 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 65.9 m -121.36 151.03 40.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.5 -174.28 0.7 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.048 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 93.2 p -166.67 160.54 15.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.833 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 45.4 t -163.61 131.79 3.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 111.137 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -145.85 96.18 2.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.783 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 155.4 41.32 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.51 133.34 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.726 0.298 . . . . 0.0 110.551 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.5 137.19 35.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.847 0.356 . . . . 0.0 110.929 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.72 130.15 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.138 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 47.4 t 58.13 51.29 8.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.572 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.619 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.708 0.29 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -141.12 115.05 9.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.742 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -118.46 127.77 53.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -148.06 124.34 10.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.105 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.19 -54.32 8.76 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.37 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.3 t -132.61 -171.48 2.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.11 68.13 1.77 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 30.15 77.84 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.214 0.596 . . . . 0.0 111.753 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.02 -62.99 3.84 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -139.05 80.42 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.833 0.349 . . . . 0.0 110.209 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.6 t -138.85 128.24 24.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.93 166.49 21.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.85 49.32 12.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.732 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.05 -39.35 89.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.399 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.8 p -151.0 159.62 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -142.35 128.69 19.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.92 -152.18 48.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -50.36 115.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.382 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.84 153.52 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.769 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -100.0 107.96 20.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.285 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.76 104.61 16.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.752 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.5 m -119.65 127.83 53.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.463 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.64 -164.77 0.46 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.78 -53.9 22.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 111.097 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.11 -93.87 0.87 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.436 HG22 ' HB2' ' A' ' 96' ' ' SER . 19.2 p -115.06 113.21 23.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.011 0.434 . . . . 0.0 110.396 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.46 143.12 3.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.072 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -107.97 124.08 49.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.415 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.4 HG22 ' CD ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -83.58 174.28 6.19 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.892 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.408 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 76.2 Cg_exo -47.98 178.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.732 2.288 . . . . 0.0 113.818 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 72' ' ' PRO . 3.9 mp0 -150.39 111.72 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.285 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 113.83 -85.84 0.4 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.05 50.11 0.87 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.626 0.727 . . . . 0.0 110.809 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.13 127.79 44.14 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.48 91.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.711 0.291 . . . . 0.0 110.599 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.6 m -80.54 102.99 10.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.041 0.448 . . . . 0.0 110.346 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.16 -147.27 13.7 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.16 71.63 0.58 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -51.99 140.2 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.734 0.302 . . . . 0.0 110.974 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.59 -47.35 0.65 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.33 130.26 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.687 0.279 . . . . 0.0 110.265 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -133.95 94.2 3.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.458 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.74 99.22 7.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.279 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -147.12 -177.76 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.031 0.443 . . . . 0.0 111.324 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.5 t -155.98 135.26 12.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.75 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.39 -177.91 6.89 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.215 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.3 p -171.19 165.62 7.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t -163.43 128.71 3.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.663 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -141.34 86.79 2.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.007 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 151.05 48.31 0.02 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -97.46 133.24 42.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.714 0.292 . . . . 0.0 110.605 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.21 139.22 33.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.2 m -130.06 114.62 16.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.436 ' HB2' HG22 ' A' ' 68' ' ' THR . 5.8 t 65.19 85.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.618 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.616 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.714 0.293 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.95 115.04 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.822 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -118.38 127.79 54.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.668 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.07 124.38 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.335 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.38 -54.62 7.88 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.269 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.3 -171.23 2.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.962 0.41 . . . . 0.0 110.87 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 65.81 69.31 1.38 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 49' ' ' GLY . 88.0 m-85 28.74 78.33 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 O-C-N 124.12 0.541 . . . . 0.0 111.854 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.38 -62.98 3.99 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -139.02 80.37 1.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.894 0.378 . . . . 0.0 110.24 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.7 t -138.95 127.66 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 61.1 m -131.34 166.59 20.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 57.95 49.24 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.734 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -60.96 -39.42 89.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.425 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -150.9 159.7 44.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -142.45 128.68 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.586 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.85 -152.38 48.48 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.0 115.05 1.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.383 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p 175.82 153.22 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.885 0.374 . . . . 0.0 110.838 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.71 107.98 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.389 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.82 104.63 16.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.722 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -119.5 127.97 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.406 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.87 -164.59 0.48 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -53.92 22.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.723 0.297 . . . . 0.0 110.984 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.22 -94.1 0.89 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.437 HG22 ' HB2' ' B' ' 96' ' ' SER . 19.6 p -114.83 113.3 24.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 0.0 110.359 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.53 142.82 3.25 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.11 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.1 m -107.61 124.0 49.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' THR . . . . . 0.408 HG22 ' CD ' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -83.27 174.41 6.04 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.805 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 72' ' ' PRO . . . . . 0.432 ' O ' ' NE2' ' B' ' 73' ' ' GLN . 76.5 Cg_exo -47.68 -179.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.786 2.324 . . . . 0.0 113.742 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' B' ' 72' ' ' PRO . 3.8 mp0 -152.04 110.95 3.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.237 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.65 -85.72 0.4 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.74 49.38 0.9 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.405 0.622 . . . . 0.0 110.782 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.29 128.08 43.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 91.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.743 0.306 . . . . 0.0 110.664 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.41 102.88 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.398 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.12 -146.67 13.23 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.99 71.63 0.57 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.09 140.38 20.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.921 0.391 . . . . 0.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.52 -47.24 0.66 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.26 130.36 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.686 0.279 . . . . 0.0 110.251 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.02 94.26 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.68 98.75 6.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.59 -177.62 5.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 111.379 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -155.93 135.13 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.873 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.26 -177.77 6.8 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.468 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 87.6 p -171.28 165.56 7.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -163.39 128.87 3.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.56 88.17 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.13 48.28 0.02 OUTLIER Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.4 133.16 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.713 0.292 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.31 139.24 33.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -130.13 114.55 15.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.369 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' SER . . . . . 0.437 ' HB2' HG22 ' B' ' 68' ' ' THR . 5.9 t 65.37 85.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.622 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.627 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.692 0.282 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.91 114.93 9.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.758 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -118.3 127.74 54.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.697 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.0 124.35 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.29 -54.67 7.82 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.39 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.26 -171.17 2.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.983 0.421 . . . . 0.0 110.905 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 65.73 69.4 1.36 Allowed Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' C' ' 49' ' ' GLY . 87.9 m-85 28.73 78.34 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.104 0.532 . . . . 0.0 111.851 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.43 -63.0 3.99 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -139.01 80.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.829 0.347 . . . . 0.0 110.176 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 20.8 t -138.85 127.58 23.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 61.5 m -131.31 166.58 20.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.96 49.31 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.78 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.07 -39.36 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 91.2 p -150.93 159.63 44.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -142.41 128.73 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.72 -152.36 48.23 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.96 115.02 1.23 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.44 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p 175.87 153.25 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.905 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.72 107.96 20.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.76 104.6 16.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 96.8 m -119.45 128.05 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.394 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.91 -164.59 0.48 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -53.98 22.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.589 0.233 . . . . 0.0 110.9 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.29 -94.1 0.88 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.437 HG22 ' HB2' ' C' ' 96' ' ' SER . 19.4 p -114.81 113.36 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.361 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.52 142.75 3.24 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.073 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 67.3 m -107.51 123.97 49.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.408 HG22 ' CD ' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -83.26 174.48 5.94 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.822 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 72' ' ' PRO . . . . . 0.408 ' CD ' HG22 ' C' ' 71' ' ' THR . 76.3 Cg_exo -47.7 -179.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.804 2.336 . . . . 0.0 113.682 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.15 110.99 3.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.184 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.75 -85.69 0.4 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.83 49.39 0.9 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.401 0.619 . . . . 0.0 110.782 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.29 128.12 43.42 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.2 91.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.777 0.323 . . . . 0.0 110.605 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.45 103.0 10.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.399 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.13 -146.72 13.25 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.0 71.61 0.58 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -51.97 140.43 20.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.929 0.395 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.47 -47.24 0.66 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.24 130.33 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.711 0.291 . . . . 0.0 110.268 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.94 94.25 3.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.472 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.65 98.61 6.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.342 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.48 -177.61 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.41 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -155.93 135.15 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.818 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.26 -177.89 6.89 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.463 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 87.3 p -171.21 165.53 7.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.28 128.9 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.741 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.62 88.39 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.96 48.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.44 133.14 42.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.312 . . . . 0.0 110.59 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.27 139.28 33.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.16 114.58 15.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.379 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 96' ' ' SER . . . . . 0.437 ' HB2' HG22 ' C' ' 68' ' ' THR . 5.9 t 65.27 86.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.56 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 CA--C 1.526 0.038 0 CA-C-O 120.72 0.295 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 45.7 t -140.89 115.09 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m -118.53 127.66 53.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.759 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -147.93 124.34 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.421 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.46 -54.39 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.334 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.48 -171.19 2.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.96 0.41 . . . . 0.0 110.9 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 65.8 69.39 1.36 Allowed Glycine 0 CA--C 1.521 0.435 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' D' ' 49' ' ' GLY . 87.8 m-85 28.77 78.53 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.14 0.553 . . . . 0.0 111.645 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.57 -62.98 4.06 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -138.96 80.31 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.846 0.355 . . . . 0.0 110.226 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 21.6 t -138.96 127.62 23.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.951 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.26 166.64 20.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 57.9 49.34 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.725 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -61.04 -39.4 89.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.353 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 91.3 p -150.91 159.65 44.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.47 128.66 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.75 -152.36 48.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.95 115.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.376 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.76 153.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.872 0.367 . . . . 0.0 110.915 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.68 107.92 20.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.309 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.73 104.62 16.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.726 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -119.71 127.83 53.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.6 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.62 -164.56 0.44 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -53.46 27.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.581 0.229 . . . . 0.0 111.003 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.8 -93.96 0.89 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 68' ' ' THR . . . . . 0.433 HG22 ' HB2' ' D' ' 96' ' ' SER . 19.3 p -114.83 113.1 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.631 0.253 . . . . 0.0 110.681 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.43 142.91 3.34 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.11 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 66.6 m -107.53 124.02 49.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.429 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 71' ' ' THR . . . . . 0.408 HG22 ' CD ' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -83.36 174.5 5.9 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.81 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 72' ' ' PRO . . . . . 0.408 ' CD ' HG22 ' D' ' 71' ' ' THR . 77.0 Cg_exo -47.7 -179.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.787 2.325 . . . . 0.0 113.715 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 73' ' ' GLN . . . . . 0.402 ' H ' ' H ' ' E' ' 74' ' ' GLY . 0.6 OUTLIER -152.1 110.93 3.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.308 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.66 -85.58 0.39 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.97 49.44 0.9 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.424 0.631 . . . . 0.0 110.769 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.32 128.1 43.41 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t 50.38 91.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 110.569 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.35 102.77 9.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.13 -146.76 13.29 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 71.73 0.56 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.13 140.44 20.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.46 -47.17 0.66 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.24 130.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.725 0.298 . . . . 0.0 110.227 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.0 94.13 3.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.61 98.7 6.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.373 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.53 -177.72 5.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.98 0.419 . . . . 0.0 111.39 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.9 135.09 12.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.855 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.26 -177.92 6.9 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.443 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.09 165.51 7.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.32 128.76 3.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.64 88.42 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.0 48.52 0.02 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -97.42 133.14 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.66 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.3 139.21 33.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -130.04 114.53 15.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 96' ' ' SER . . . . . 0.433 ' HB2' HG22 ' D' ' 68' ' ' THR . 5.9 t 65.38 85.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.63 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.615 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.744 0.307 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 46.0 t -140.49 115.04 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -118.46 127.92 54.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 110.651 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -148.18 125.18 11.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -77.07 -50.84 12.17 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 118.955 -1.098 . . . . 0.0 111.757 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 8.8 t -130.99 -171.07 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.098 0.475 . . . . 0.0 111.441 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 49' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 65.97 70.11 1.18 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 177.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 50' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' E' ' 49' ' ' GLY . 87.8 m-85 26.21 81.33 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 124.669 0.864 . . . . 0.0 110.841 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.15 -64.56 3.24 Favored Glycine 0 CA--C 1.518 0.232 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -138.42 81.83 1.87 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.01 0.434 . . . . 0.0 110.002 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 21.5 t -139.73 127.66 22.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.587 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -131.38 166.72 20.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.21 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 57.8 49.13 12.62 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.711 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 72.9 m -60.98 -39.35 89.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.423 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 91.3 p -150.94 159.62 44.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.41 128.66 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.59 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.82 -152.32 48.48 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.06 115.06 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.78 153.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.368 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.73 107.85 20.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.348 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.66 104.5 16.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.817 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -119.48 127.99 53.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.295 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.43 -164.81 0.43 Allowed Glycine 0 CA--C 1.524 0.607 0 O-C-N 123.892 0.745 . . . . 0.0 111.266 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.7 -54.59 17.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.649 0.261 . . . . 0.0 110.75 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.63 -94.3 0.88 Allowed Glycine 0 N--CA 1.462 0.403 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 68' ' ' THR . . . . . 0.434 HG22 ' HB2' ' E' ' 96' ' ' SER . 19.4 p -114.84 113.15 23.83 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.114 0.538 . . . . 0.0 110.257 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -168.32 143.54 3.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.002 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 69.4 m -108.34 125.54 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 119.009 -0.52 . . . . 0.0 110.165 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 71' ' ' THR . . . . . 0.4 HG22 ' CD ' ' E' ' 72' ' ' PRO . 0.0 OUTLIER -84.65 174.44 5.8 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 125.06 1.475 . . . . 0.0 109.265 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 72' ' ' PRO . . . . . 0.404 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 75.8 Cg_exo -47.84 -179.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 122.782 2.321 . . . . 0.0 113.583 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -151.83 114.12 4.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.619 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 74' ' ' GLY . . . . . 0.402 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 113.0 -86.62 0.43 Allowed Glycine 0 CA--C 1.534 1.278 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.1 48.94 0.9 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.294 0.569 . . . . 0.0 111.038 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.09 128.05 42.86 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t 49.79 92.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.366 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 6.9 m -81.04 103.56 10.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.229 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.44 -146.79 13.07 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.66 72.3 0.47 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -52.71 139.96 24.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.004 0.43 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.84 -44.77 0.73 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 169.02 130.75 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.875 0.369 . . . . 0.0 110.061 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.26 93.61 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.65 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.05 97.77 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.359 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.16 -177.88 5.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.002 0.43 . . . . 0.0 111.353 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -155.81 135.05 12.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.854 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.39 -178.24 7.13 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.475 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 88.3 p -170.12 165.77 9.17 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -162.81 128.99 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.34 88.07 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.799 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.12 48.85 0.02 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -96.3 132.86 41.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.467 -0.093 . . . . 0.0 110.875 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.19 139.4 33.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.9 m -129.93 114.49 15.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.261 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 96' ' ' SER . . . . . 0.434 ' HB2' HG22 ' E' ' 68' ' ' THR . 5.9 t 65.29 86.11 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.727 0.642 . . . . 0.0 110.657 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.543 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.831 0.348 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 45.4 t -140.94 115.03 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -118.37 127.94 54.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.651 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -148.1 124.5 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.405 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.3 -54.77 7.55 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.31 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.23 -171.25 2.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.858 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 65.8 69.55 1.32 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' F' ' 49' ' ' GLY . 87.9 m-85 28.5 78.3 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.123 0.543 . . . . 0.0 111.919 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.3 -63.1 3.89 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -138.99 80.39 1.78 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.829 0.347 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 21.3 t -138.98 127.52 23.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 61.4 m -131.26 166.61 20.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.95 49.23 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.763 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -60.98 -39.4 89.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.413 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -150.91 159.72 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.45 128.64 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.619 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.83 -152.36 48.47 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.95 114.97 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.86 153.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.369 . . . . 0.0 110.877 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.71 108.02 20.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.301 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.88 104.52 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -119.31 128.33 54.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.21 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -164.42 0.51 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.85 -54.42 19.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.636 0.255 . . . . 0.0 110.89 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.56 -94.22 0.88 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 68' ' ' THR . . . . . 0.436 HG22 ' HB2' ' F' ' 96' ' ' SER . 19.5 p -114.65 113.52 24.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.65 142.78 3.17 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 67.0 m -107.51 124.04 49.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.461 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 71' ' ' THR . . . . . 0.407 HG22 ' CD ' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -83.34 174.54 5.85 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.804 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 72' ' ' PRO . . . . . 0.428 ' O ' ' NE2' ' F' ' 73' ' ' GLN . 76.3 Cg_exo -47.7 -179.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.77 2.313 . . . . 0.0 113.682 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 73' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' F' ' 72' ' ' PRO . 3.8 mp0 -152.07 110.87 3.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.281 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.71 -85.72 0.4 Allowed Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.53 49.1 0.91 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.347 0.594 . . . . 0.0 110.804 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.16 128.2 43.36 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.08 91.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.79 0.329 . . . . 0.0 110.628 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 6.7 m -80.39 102.95 9.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.14 -146.76 13.28 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.13 71.61 0.58 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -52.02 140.39 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.921 0.391 . . . . 0.0 110.951 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.49 -47.18 0.66 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.26 130.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -133.94 94.21 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.521 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.62 98.69 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.4 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.5 -177.54 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 0.0 111.398 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -155.99 135.13 12.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.833 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.23 -177.83 6.84 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.531 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.26 165.52 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.877 0.37 . . . . 0.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.4 128.87 3.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.787 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.44 88.42 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.91 48.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.41 133.08 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.24 139.24 33.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.7 m -130.1 114.54 15.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.386 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 96' ' ' SER . . . . . 0.436 ' HB2' HG22 ' F' ' 68' ' ' THR . 5.9 t 65.32 85.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.642 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.562 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.767 0.318 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -140.89 115.0 9.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -118.37 127.75 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.703 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.02 124.35 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.382 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -73.33 -54.64 7.87 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.363 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.35 -171.22 2.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.974 0.416 . . . . 0.0 110.861 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 65.76 69.29 1.39 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' G' ' 49' ' ' GLY . 87.9 m-85 28.85 78.31 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 O-C-N 124.119 0.541 . . . . 0.0 111.887 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.41 -63.0 3.98 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -139.02 80.34 1.78 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.842 0.353 . . . . 0.0 110.198 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 20.5 t -138.91 127.66 23.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.905 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.34 166.59 20.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.508 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 57.88 49.33 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.724 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 73.1 m -60.99 -39.34 89.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.488 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 91.2 p -150.96 159.66 44.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -142.44 128.65 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.83 -152.38 48.45 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.02 115.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.431 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.9 153.23 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.895 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.71 107.94 20.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.312 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.72 104.6 16.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.774 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 96.3 m -119.39 127.99 53.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.493 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.84 -164.56 0.47 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -53.98 23.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.624 0.25 . . . . 0.0 110.902 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.31 -94.06 0.88 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 68' ' ' THR . . . . . 0.432 HG22 ' HB2' ' G' ' 96' ' ' SER . 19.5 p -114.92 113.36 24.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 0.0 110.38 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.56 142.81 3.23 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.086 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -107.53 124.02 49.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.397 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 71' ' ' THR . . . . . 0.408 HG22 ' CD ' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -83.32 174.51 5.9 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.787 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 72' ' ' PRO . . . . . 0.408 ' CD ' HG22 ' G' ' 71' ' ' THR . 76.4 Cg_exo -47.65 -179.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.84 2.36 . . . . 0.0 113.694 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.15 110.91 3.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.205 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.86 -85.69 0.4 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.82 49.24 0.91 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.425 0.631 . . . . 0.0 110.798 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.24 128.19 43.48 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 91.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.786 0.327 . . . . 0.0 110.61 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.4 102.87 9.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.365 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.06 -146.7 13.3 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.03 71.65 0.57 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -52.0 140.44 20.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.887 0.375 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.45 -47.27 0.66 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 171.28 130.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.96 94.2 3.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.535 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.63 98.63 6.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.369 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.47 -177.55 5.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 111.399 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.93 135.11 12.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.803 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.26 -177.84 6.84 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.42 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.2 165.52 7.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.813 0.34 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.33 128.89 3.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.57 88.49 2.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.86 48.4 0.02 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.42 133.11 42.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.586 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.26 33.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.1 m -130.11 114.54 15.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.374 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 96' ' ' SER . . . . . 0.432 ' HB2' HG22 ' G' ' 68' ' ' THR . 5.9 t 65.34 85.98 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.652 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.598 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.775 0.321 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.96 115.02 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.757 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -118.36 127.8 54.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.677 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -148.02 124.4 10.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.404 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.44 -54.64 7.8 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.304 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.27 -171.22 2.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.932 0.396 . . . . 0.0 110.911 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 65.73 69.42 1.35 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' H' ' 49' ' ' GLY . 88.0 m-85 28.77 78.28 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 O-C-N 124.209 0.594 . . . . 0.0 111.83 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.39 -63.02 3.96 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -138.95 80.34 1.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.79 0.329 . . . . 0.0 110.268 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 21.3 t -138.92 127.59 23.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.918 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 62.2 m -131.33 166.65 20.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 57.89 49.27 12.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.81 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 73.0 m -61.0 -39.38 89.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.433 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 91.6 p -150.87 159.67 44.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.535 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -142.43 128.68 19.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.77 -152.29 48.4 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.04 115.0 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.408 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.87 153.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.883 0.373 . . . . 0.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.78 108.01 20.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.294 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.81 104.6 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -119.44 128.14 53.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.04 -164.54 0.5 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -54.02 22.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.569 0.223 . . . . 0.0 110.89 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.28 -94.15 0.89 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 68' ' ' THR . . . . . 0.431 HG22 ' HB2' ' H' ' 96' ' ' SER . 19.6 p -114.79 113.43 24.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.58 142.88 3.23 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.05 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 67.5 m -107.67 124.05 49.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.356 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 71' ' ' THR . . . . . 0.41 HG22 ' CD ' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -83.33 174.52 5.87 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.786 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 72' ' ' PRO . . . . . 0.426 ' O ' ' NE2' ' H' ' 73' ' ' GLN . 76.0 Cg_exo -47.72 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.819 2.346 . . . . 0.0 113.665 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 73' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' H' ' 72' ' ' PRO . 3.8 mp0 -152.11 111.01 3.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.213 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.74 -85.66 0.4 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.74 49.13 0.91 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.439 0.637 . . . . 0.0 110.817 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.12 128.23 43.35 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.17 91.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.579 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.33 102.93 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.418 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.12 -146.73 13.27 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.04 71.72 0.56 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.13 140.43 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 110.902 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.48 -47.19 0.66 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.22 130.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.29 . . . . 0.0 110.259 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.96 94.16 3.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.59 98.64 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.331 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.52 -177.68 5.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.985 0.421 . . . . 0.0 111.386 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 48.1 t -155.83 135.12 12.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.808 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.28 -177.92 6.9 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.443 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 87.2 p -171.16 165.56 7.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.89 0.376 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -163.36 128.87 3.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.776 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.57 88.65 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.83 48.41 0.02 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.38 133.08 42.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.709 0.29 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.21 33.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.07 114.47 15.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.425 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 96' ' ' SER . . . . . 0.431 ' HB2' HG22 ' H' ' 68' ' ' THR . 5.9 t 65.34 86.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.594 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.577 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.766 0.317 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.84 115.33 9.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -118.67 127.77 53.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -147.84 125.53 11.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.34 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -74.67 -54.61 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.063 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -132.39 -171.16 2.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.955 0.407 . . . . 0.0 110.819 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 49' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 65.72 69.39 1.36 Allowed Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 50' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' I' ' 49' ' ' GLY . 87.8 m-85 28.55 79.11 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.195 0.585 . . . . 0.0 111.734 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.96 -63.14 4.1 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -139.08 80.61 1.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.846 0.355 . . . . 0.0 110.208 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 22.2 t -139.18 127.46 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.79 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 61.3 m -131.28 166.6 20.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 57.94 49.27 12.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.73 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.04 -39.34 89.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.419 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 90.7 p -150.93 159.7 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -142.45 128.64 19.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.84 -152.28 48.55 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.24 114.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.639 0.257 . . . . 0.0 110.475 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 176.07 153.3 0.17 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -99.78 107.94 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.28 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.77 104.58 16.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.4 m -119.31 128.26 53.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.391 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.1 -164.39 0.5 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.14 -54.0 23.71 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.219 -0.192 . . . . 0.0 110.795 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.38 -94.21 0.89 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 68' ' ' THR . . . . . 0.433 HG22 ' HB2' ' I' ' 96' ' ' SER . 19.9 p -114.78 113.39 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -168.58 142.91 3.24 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.8 m -107.31 124.81 50.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.346 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 71' ' ' THR . . . . . 0.41 HG22 ' CD ' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -83.92 174.41 5.95 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.658 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' I' I ' 72' ' ' PRO . . . . . 0.41 ' CD ' HG22 ' I' ' 71' ' ' THR . 75.0 Cg_exo -47.98 -179.12 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.838 2.359 . . . . 0.0 113.437 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.18 111.35 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.268 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.88 -85.55 0.39 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.44 48.3 0.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.229 0.538 . . . . 0.0 110.792 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.36 128.35 41.45 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.08 91.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.814 0.34 . . . . 0.0 110.539 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.22 102.83 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.508 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.97 -146.54 13.24 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 71.71 0.56 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -52.14 140.74 20.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.046 0.451 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.37 -47.1 0.67 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 171.23 130.38 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.706 0.289 . . . . 0.0 110.236 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.02 94.22 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.524 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.62 98.53 6.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.53 -178.25 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.975 0.417 . . . . 0.0 111.373 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.24 135.19 12.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.895 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.51 -178.72 7.48 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.378 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -170.45 165.67 8.55 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -163.25 129.24 3.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.77 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -141.91 89.78 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.614 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 148.91 48.49 0.02 OUTLIER Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.32 132.94 42.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 0.0 110.587 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.2 33.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.16 114.7 16.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.347 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 96' ' ' SER . . . . . 0.433 ' HB2' HG22 ' I' ' 68' ' ' THR . 5.9 t 65.23 86.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.599 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.811 0.339 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -138.46 123.16 18.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.5 m -129.77 129.36 44.0 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.5 132.07 14.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.249 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.402 HG21 ' HD3' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -81.53 -50.38 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.077 0.465 . . . . 0.0 110.922 -179.725 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.4 t -132.68 -154.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.218 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.29 54.22 17.76 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.813 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 52.45 -174.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.185 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.53 -54.36 1.34 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -160.63 -78.77 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.595 0.236 . . . . 0.0 110.741 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.1 m -129.67 126.25 37.9 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.901 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -100.2 126.46 46.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.443 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.65 137.71 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.667 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.0 m -132.54 104.0 6.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.48 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.76 110.78 22.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.671 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.97 174.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.69 -161.5 51.22 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 52.54 -177.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.795 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.9 -33.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.39 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -123.07 105.46 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.489 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -94.76 103.98 15.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -120.47 133.28 55.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.754 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.66 -161.45 0.11 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.98 -53.85 14.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.984 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.83 -100.51 1.18 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.407 HG22 ' HB2' ' A' ' 96' ' ' SER . 19.7 p -116.15 112.79 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.98 0.419 . . . . 0.0 110.55 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.95 152.69 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.381 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -112.71 121.29 44.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.429 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.04 173.7 6.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.999 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.402 ' HD3' HG21 ' A' ' 47' ' ' THR . 81.3 Cg_exo -45.19 170.25 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.546 2.164 . . . . 0.0 113.622 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -144.95 111.28 5.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.689 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 124.56 -79.95 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.67 -61.38 1.43 Allowed 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.239 -0.184 . . . . 0.0 110.714 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.51 112.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.499 ' HA ' ' HG ' ' B' ' 77' ' ' SER . 89.3 p 47.75 91.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 m -82.03 110.35 17.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.143 0.497 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.35 -142.84 10.66 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.2 74.4 0.26 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.8 138.58 53.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.7 0.285 . . . . 0.0 110.973 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.75 -45.45 0.68 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.47 132.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.796 0.332 . . . . 0.0 110.198 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.23 95.26 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.7 91.95 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.3 p -147.52 -176.55 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.048 0.451 . . . . 0.0 111.43 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -161.93 141.44 9.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.32 -176.11 5.43 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.143 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -169.7 178.32 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.817 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.5 155.02 31.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.205 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -67.58 0.85 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.831 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.71 103.91 0.18 Allowed Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.766 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.66 159.22 21.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.687 0.279 . . . . 0.0 110.264 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -129.42 140.79 51.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -131.07 125.32 32.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.407 ' HB2' HG22 ' A' ' 68' ' ' THR . 11.8 t 59.3 -166.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.589 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.84 0.352 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -138.59 123.18 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.312 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.7 m -129.82 129.13 43.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 111.345 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.23 132.06 15.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.374 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.408 HG21 ' HD3' ' B' ' 72' ' ' PRO . 1.0 OUTLIER -81.77 -50.41 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.811 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.5 t -132.4 -153.28 0.54 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.33 56.36 12.24 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.364 -0.922 . . . . 0.0 111.446 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 50.35 -173.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.495 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.75 -54.52 1.3 Allowed Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -160.73 -79.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.592 0.234 . . . . 0.0 110.63 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.8 m -129.46 126.33 38.47 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.083 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 71.1 m -100.09 126.22 46.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.61 47.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.674 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m -132.53 103.88 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 40.2 t -108.56 110.72 22.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.92 174.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.809 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.59 -161.42 51.05 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.66 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.971 0.415 . . . . 0.0 110.772 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.94 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.357 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -122.94 105.4 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.556 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.74 103.94 15.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.552 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -120.26 133.38 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.744 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.63 -161.34 0.1 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.18 -53.92 15.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.613 0.244 . . . . 0.0 110.812 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.94 -100.65 1.19 Allowed Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.507 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.41 HG22 ' HB2' ' B' ' 96' ' ' SER . 20.1 p -115.82 112.68 22.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.597 0.237 . . . . 0.0 110.64 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.01 152.26 5.1 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.406 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -112.25 121.21 44.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.369 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.66 173.91 6.72 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.916 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 85.9 Cg_exo -45.01 171.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.629 2.219 . . . . 0.0 113.395 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.411 ' H ' ' H ' ' C' ' 74' ' ' GLY . 6.6 mp0 -146.68 110.55 4.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.845 -1.071 . . . . 0.0 108.64 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.18 -79.69 0.36 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.5 -61.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.715 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.65 113.17 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.499 ' HG ' ' HA ' ' A' ' 77' ' ' SER . 90.5 p 47.7 91.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.926 0.393 . . . . 0.0 110.754 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 41.4 m -81.77 110.28 16.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.401 . . . . 0.0 110.964 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.47 -142.45 10.43 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.1 74.54 0.25 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.97 138.82 53.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.916 0.388 . . . . 0.0 110.978 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.69 -45.31 0.69 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.38 132.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.771 0.319 . . . . 0.0 110.249 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.21 95.3 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.6 91.57 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.269 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 59.2 p -147.06 -176.5 5.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.035 0.445 . . . . 0.0 111.482 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 47.2 t -161.9 141.37 9.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.009 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.33 -175.98 5.35 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.313 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 22.5 t -169.74 178.25 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 154.82 31.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.278 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.99 -67.55 0.85 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.79 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.73 103.7 0.18 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.659 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.48 159.04 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.649 0.261 . . . . 0.0 110.407 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.32 140.85 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.7 m -131.04 125.4 33.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.32 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' SER . . . . . 0.41 ' HB2' HG22 ' B' ' 68' ' ' THR . 11.7 t 59.12 -166.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.586 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 66.1 t80 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.521 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.877 0.37 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -138.7 123.15 18.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.247 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -129.75 129.08 43.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 111.405 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.26 132.13 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.332 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' THR . . . . . 0.408 HG21 ' HD3' ' C' ' 72' ' ' PRO . 1.0 OUTLIER -81.74 -50.56 9.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.872 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -132.41 -153.24 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.3 56.33 12.4 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.514 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 50.4 -173.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.551 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.87 -54.52 1.29 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.74 -79.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.547 0.213 . . . . 0.0 110.575 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 70.9 m -129.3 126.41 38.94 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.093 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 71.7 m -100.25 126.25 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.69 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.643 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 62.6 m -132.56 103.88 6.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.516 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.58 110.76 22.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.778 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.88 174.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.42 51.25 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.58 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.382 . . . . 0.0 110.792 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 4.3 t -171.87 -33.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.359 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -122.99 105.49 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -94.91 103.93 15.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.25 133.4 55.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.73 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.76 -161.33 0.11 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -53.99 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.608 0.242 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.05 -100.63 1.18 Allowed Glycine 0 CA--C 1.523 0.539 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.443 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.412 HG22 ' HB2' ' C' ' 96' ' ' SER . 20.1 p -115.91 112.83 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.633 0.254 . . . . 0.0 110.621 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.09 152.29 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.371 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -112.23 121.25 44.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.392 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.74 173.99 6.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.813 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 72' ' ' PRO . . . . . 0.414 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 87.3 Cg_exo -45.0 172.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.716 2.278 . . . . 0.0 113.312 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 73' ' ' GLN . . . . . 0.408 ' H ' ' H ' ' D' ' 74' ' ' GLY . 6.5 mp0 -146.89 110.54 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.61 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 74' ' ' GLY . . . . . 0.411 ' H ' ' H ' ' B' ' 73' ' ' GLN . . . 125.22 -79.57 0.36 Allowed Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 -178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.69 -61.4 1.43 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.724 0.297 . . . . 0.0 110.686 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.76 113.18 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 77' ' ' SER . . . . . 0.497 ' HA ' ' HG ' ' D' ' 77' ' ' SER . 90.3 p 47.6 91.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.972 0.415 . . . . 0.0 110.748 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 41.8 m -81.79 110.45 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.409 . . . . 0.0 110.964 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.42 -142.57 10.5 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.18 74.58 0.24 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.96 138.86 53.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.961 0.41 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.62 -45.3 0.69 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.67 0.271 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 70.3 m -128.16 95.2 4.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.66 91.59 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.244 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 59.1 p -147.01 -176.53 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 111.479 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -161.89 141.47 9.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.004 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.34 -176.07 5.4 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.367 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 22.5 t -169.65 178.24 4.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.915 0.388 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.32 154.98 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.212 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -67.61 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.761 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.67 103.67 0.18 Allowed Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.613 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.57 159.07 21.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.656 0.265 . . . . 0.0 110.373 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.43 140.79 51.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.04 125.3 32.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.341 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 96' ' ' SER . . . . . 0.412 ' HB2' HG22 ' C' ' 68' ' ' THR . 11.6 t 59.29 -166.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.619 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.579 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.8 0.333 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -138.66 123.12 18.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.38 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -129.79 128.93 43.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.349 . . . . 0.0 111.428 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.09 132.1 15.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.311 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 47' ' ' THR . . . . . 0.409 HG21 ' HD3' ' D' ' 72' ' ' PRO . 1.0 OUTLIER -81.84 -50.63 9.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 110.693 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 15.6 t -132.26 -153.21 0.54 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.5 56.25 12.32 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.492 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' E' ' 49' ' ' GLY . 35.2 m-85 50.41 -173.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.453 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.9 -54.48 1.29 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.78 -79.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 110.566 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -129.32 126.41 38.91 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.065 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.26 126.09 46.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.563 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.4 137.62 46.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.753 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 62.5 m -132.46 103.79 6.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 40.4 t -108.52 110.74 22.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.795 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.9 174.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.65 -161.38 51.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.57 -177.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.779 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -172.07 -33.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.05 105.39 9.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.547 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -94.91 104.03 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -120.5 133.24 55.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.62 -161.36 0.1 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.06 -53.68 15.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.661 0.267 . . . . 0.0 110.932 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.64 -100.53 1.2 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 68' ' ' THR . . . . . 0.41 HG22 ' HB2' ' D' ' 96' ' ' SER . 19.9 p -115.86 112.6 22.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.616 0.246 . . . . 0.0 110.894 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.07 152.41 5.11 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.387 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -112.34 121.42 44.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.329 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.88 173.93 6.65 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.773 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 72' ' ' PRO . . . . . 0.417 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 84.8 Cg_exo -45.01 172.01 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.596 2.197 . . . . 0.0 113.361 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 73' ' ' GLN . . . . . 0.444 ' H ' ' H ' ' E' ' 74' ' ' GLY . 6.5 mp0 -146.9 110.51 4.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.696 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 74' ' ' GLY . . . . . 0.408 ' H ' ' H ' ' C' ' 73' ' ' GLN . . . 125.17 -79.6 0.36 Allowed Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.159 -1.177 . . . . 0.0 110.159 -178.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.64 -61.58 1.41 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.687 0.279 . . . . 0.0 110.665 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.89 113.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 77' ' ' SER . . . . . 0.497 ' HG ' ' HA ' ' C' ' 77' ' ' SER . 89.7 p 47.76 91.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.902 0.382 . . . . 0.0 110.738 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 41.2 m -81.64 110.35 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.891 0.377 . . . . 0.0 111.029 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.62 -142.58 10.42 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.17 74.64 0.24 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.84 138.81 52.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.87 0.366 . . . . 0.0 111.081 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.61 -45.14 0.7 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.28 132.48 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.761 0.315 . . . . 0.0 110.226 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -128.1 95.12 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.609 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.56 91.62 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.209 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 58.8 p -147.02 -176.5 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.069 0.461 . . . . 0.0 111.444 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 47.3 t -161.9 141.38 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.973 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.31 -176.1 5.42 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.325 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 22.7 t -169.6 178.21 4.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.888 0.375 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.33 154.93 31.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.185 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.24 -67.39 0.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.804 -0.359 . . . . 0.0 111.838 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.72 103.6 0.18 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.601 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.5 159.04 21.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.671 0.272 . . . . 0.0 110.38 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.38 140.75 51.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.342 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.06 125.24 32.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.305 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 96' ' ' SER . . . . . 0.41 ' HB2' HG22 ' D' ' 68' ' ' THR . 11.8 t 59.31 -166.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.472 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.849 0.356 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -138.64 123.16 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.299 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 97.4 m -129.86 128.98 43.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 111.359 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -150.03 132.8 15.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.331 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 47' ' ' THR . . . . . 0.404 HG21 ' HD3' ' E' ' 72' ' ' PRO . 1.0 OUTLIER -84.12 -48.3 10.0 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 119.719 -0.792 . . . . 0.0 111.231 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 14.8 t -130.83 -152.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 70.67 49.0 32.27 Favored Glycine 0 C--N 1.343 0.931 0 C-N-CA 118.107 -1.997 . . . . 0.0 112.585 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 53.94 -174.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.377 0.588 . . . . 0.0 109.854 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.49 -53.79 1.3 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -160.62 -81.57 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 68.0 m -128.64 127.18 41.7 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.295 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 73.5 m -101.74 126.22 48.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.112 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.62 47.12 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.662 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 62.5 m -132.52 103.87 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.564 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.65 110.85 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 55.8 174.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.77 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.35 51.3 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.47 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.88 -33.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.361 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -123.06 105.4 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.8 103.87 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.602 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 97.8 m -120.21 133.36 55.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.56 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.07 -162.13 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.49 -54.59 11.1 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.677 0.275 . . . . 0.0 110.558 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.2 -100.51 1.16 Allowed Glycine 0 CA--C 1.522 0.525 0 CA-C-O 119.266 -0.741 . . . . 0.0 111.513 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 68' ' ' THR . . . . . 0.411 HG22 ' HB2' ' E' ' 96' ' ' SER . 19.9 p -116.07 112.05 21.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.687 0.875 . . . . 0.0 110.48 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.34 152.9 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.33 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 95.3 p -112.87 122.68 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 119.178 -0.439 . . . . 0.0 110.18 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.0 173.9 6.5 Favored Pre-proline 0 C--N 1.327 -0.397 0 O-C-N 124.895 1.372 . . . . 0.0 109.351 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 72' ' ' PRO . . . . . 0.417 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 88.1 Cg_exo -45.01 171.91 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.632 2.221 . . . . 0.0 113.29 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 73' ' ' GLN . . . . . 0.405 ' H ' ' H ' ' F' ' 74' ' ' GLY . 6.2 mp0 -146.54 114.08 6.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 74' ' ' GLY . . . . . 0.444 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 122.62 -81.64 0.35 Allowed Glycine 0 CA--C 1.541 1.666 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -177.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.82 -60.08 1.6 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.824 0.312 . . . . 0.0 111.022 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.11 113.45 0.01 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 77' ' ' SER . . . . . 0.496 ' HG ' ' HA ' ' D' ' 77' ' ' SER . 93.6 p 46.61 93.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.136 0.493 . . . . 0.0 110.418 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 42.1 m -82.64 110.68 17.92 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.68 -142.19 10.22 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.91 74.62 0.24 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -57.32 138.63 54.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.916 0.388 . . . . 0.0 111.005 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.89 -43.37 0.75 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 169.23 132.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.85 0.357 . . . . 0.0 110.096 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 70.0 m -128.38 94.75 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.7 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.08 90.71 3.4 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.741 0.651 . . . . 0.0 110.265 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 59.4 p -146.66 -176.81 5.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.016 0.436 . . . . 0.0 111.469 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 47.3 t -161.73 141.37 10.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.962 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.37 -176.12 5.43 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.317 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -169.38 178.6 4.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.88 0.371 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.23 154.83 31.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.143 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -66.04 0.95 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.05 101.71 0.16 Allowed Glycine 0 C--N 1.34 0.794 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.833 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -82.48 159.11 22.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 0.0 110.321 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.39 140.77 51.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -130.91 125.19 32.86 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.175 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 96' ' ' SER . . . . . 0.411 ' HB2' HG22 ' E' ' 68' ' ' THR . 11.9 t 59.61 -166.15 0.19 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.981 0.801 . . . . 0.0 110.403 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.489 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.744 0.306 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -138.68 123.21 18.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.273 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 97.1 m -129.98 129.26 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.971 0.415 . . . . 0.0 111.246 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.27 132.16 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.348 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 47' ' ' THR . . . . . 0.407 HG21 ' HD3' ' F' ' 72' ' ' PRO . 1.0 OUTLIER -81.76 -50.52 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.813 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -132.38 -153.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.32 56.38 12.18 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.472 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 50.35 -173.93 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.642 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.71 -54.51 1.31 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -160.77 -78.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.565 0.221 . . . . 0.0 110.618 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -129.46 126.47 38.79 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.094 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 71.3 m -100.26 126.21 46.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.51 137.69 46.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 62.9 m -132.53 103.81 6.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 40.2 t -108.57 110.8 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.89 174.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.58 -161.43 51.01 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 52.66 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 110.737 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.92 -33.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.17 105.53 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -95.0 103.97 15.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.607 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -120.11 133.77 55.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.545 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -161.19 0.11 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.15 -54.23 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.649 0.261 . . . . 0.0 110.885 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.21 -100.84 1.18 Allowed Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.505 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 68' ' ' THR . . . . . 0.409 HG22 ' HB2' ' F' ' 96' ' ' SER . 20.0 p -115.6 112.87 22.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.573 0.225 . . . . 0.0 110.529 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.1 152.38 5.07 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.374 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 97.1 p -112.34 121.23 44.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.353 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.8 173.98 6.6 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.726 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 72' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 87.8 Cg_exo -45.07 172.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.715 2.277 . . . . 0.0 113.267 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 73' ' ' GLN . . . . . 0.408 ' H ' ' H ' ' G' ' 74' ' ' GLY . 6.5 mp0 -146.9 110.51 4.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.598 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 74' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' E' ' 73' ' ' GLN . . . 125.21 -79.7 0.36 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.47 -61.5 1.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.786 0.327 . . . . 0.0 110.596 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.73 113.19 0.01 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 77' ' ' SER . . . . . 0.494 ' HG ' ' HA ' ' E' ' 77' ' ' SER . 88.9 p 47.6 91.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.958 0.408 . . . . 0.0 110.758 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 42.3 m -81.79 110.46 17.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.997 0.427 . . . . 0.0 110.991 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.42 -142.57 10.5 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.24 74.45 0.26 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.81 138.85 52.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.842 0.353 . . . . 0.0 110.965 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.61 -45.19 0.69 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.35 132.55 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.777 0.323 . . . . 0.0 110.184 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 70.8 m -128.19 95.14 4.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.52 91.55 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.22 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 59.0 p -147.0 -176.4 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.044 0.449 . . . . 0.0 111.477 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 47.2 t -162.01 141.31 9.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.007 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.28 -175.97 5.35 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.412 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.72 178.25 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 154.9 31.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.244 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.12 -67.64 0.85 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.682 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.68 103.75 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.583 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.56 159.03 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.27 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.42 140.74 51.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -130.96 125.41 33.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.362 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 96' ' ' SER . . . . . 0.409 ' HB2' HG22 ' F' ' 68' ' ' THR . 11.8 t 59.22 -166.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.518 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.808 0.337 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 44.0 t -138.62 123.27 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.234 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -129.9 129.1 43.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.95 0.405 . . . . 0.0 111.345 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.21 132.11 15.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.385 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 47' ' ' THR . . . . . 0.408 HG21 ' HD3' ' G' ' 72' ' ' PRO . 1.0 OUTLIER -81.79 -50.53 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.791 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 15.8 t -132.39 -153.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.33 56.31 12.39 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.487 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 50.55 -173.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.528 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.94 -54.51 1.29 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -160.75 -79.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.599 0.238 . . . . 0.0 110.622 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 70.9 m -129.32 126.37 38.8 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.086 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.14 126.19 46.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.544 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.48 137.6 47.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.752 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 62.4 m -132.48 103.91 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.486 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.69 110.8 22.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.715 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.85 174.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.37 51.3 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.53 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.991 0.424 . . . . 0.0 110.732 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 4.3 t -171.87 -33.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.432 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -122.99 105.44 9.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.83 103.95 15.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.15 133.47 55.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.768 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.86 -161.23 0.11 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -53.96 15.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.619 0.247 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.92 -100.7 1.19 Allowed Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.486 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 68' ' ' THR . . . . . 0.411 HG22 ' HB2' ' G' ' 96' ' ' SER . 20.0 p -115.83 112.76 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.666 0.27 . . . . 0.0 110.598 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.01 152.38 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.386 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -112.3 121.19 44.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.401 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.66 173.96 6.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.821 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 72' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' H' ' 72' ' ' PRO . 87.5 Cg_exo -45.09 172.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.659 2.239 . . . . 0.0 113.323 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 73' ' ' GLN . . . . . 0.409 ' H ' ' H ' ' H' ' 74' ' ' GLY . 6.5 mp0 -146.83 110.54 4.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.635 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 74' ' ' GLY . . . . . 0.408 ' H ' ' H ' ' F' ' 73' ' ' GLN . . . 125.2 -79.64 0.36 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 -178.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.54 -61.6 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.78 0.324 . . . . 0.0 110.615 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.87 113.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 77' ' ' SER . . . . . 0.496 ' HA ' ' HG ' ' H' ' 77' ' ' SER . 90.4 p 47.62 91.71 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.933 0.397 . . . . 0.0 110.726 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 42.6 m -81.76 110.36 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.388 . . . . 0.0 110.92 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.39 -142.49 10.47 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.05 74.67 0.24 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.94 138.86 53.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.971 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.64 -45.28 0.69 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.4 132.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 70.3 m -128.19 95.22 4.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.52 91.45 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.256 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 58.8 p -146.89 -176.47 5.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 111.532 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -161.96 141.41 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.953 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.25 -175.94 5.35 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.38 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.74 178.24 4.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.31 154.91 31.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.313 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -67.6 0.85 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.707 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.66 103.74 0.18 Allowed Glycine 0 CA--C 1.525 0.68 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.575 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.52 159.1 21.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.594 0.235 . . . . 0.0 110.397 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.4 140.81 51.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -131.03 125.36 33.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.274 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 96' ' ' SER . . . . . 0.411 ' HB2' HG22 ' G' ' 68' ' ' THR . 11.8 t 59.25 -166.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.517 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.483 179.917 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 CA--C 1.526 0.026 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -138.65 123.25 18.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.275 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -129.83 129.13 43.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.87 0.367 . . . . 0.0 111.373 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.27 132.04 15.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.381 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 47' ' ' THR . . . . . 0.406 HG21 ' HD3' ' H' ' 72' ' ' PRO . 1.0 OUTLIER -81.71 -50.58 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.767 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 15.6 t -132.4 -153.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.37 56.3 12.38 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.3 -0.952 . . . . 0.0 111.551 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 50.47 -173.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.549 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.89 -54.48 1.29 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.74 -78.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.542 0.211 . . . . 0.0 110.624 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -129.36 126.48 39.0 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.037 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.31 126.18 46.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.547 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.47 137.7 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m -132.6 103.95 6.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.485 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.66 110.79 22.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.93 174.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.72 -161.39 51.37 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.54 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.788 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.9 -33.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.382 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.02 105.42 9.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.536 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.9 103.95 15.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.19 133.54 55.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.799 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.83 -161.31 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -54.04 14.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.644 0.259 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.01 -100.77 1.19 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 68' ' ' THR . . . . . 0.411 HG22 ' HB2' ' H' ' 96' ' ' SER . 20.0 p -115.75 112.84 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.623 0.249 . . . . 0.0 110.627 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.09 152.27 5.04 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.366 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 97.1 p -112.14 121.13 44.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.62 173.94 6.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.843 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 85.6 Cg_exo -45.08 172.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.56 2.174 . . . . 0.0 113.365 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 73' ' ' GLN . . . . . 0.407 ' H ' ' H ' ' I' ' 74' ' ' GLY . 6.5 mp0 -146.86 110.62 4.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.649 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 74' ' ' GLY . . . . . 0.409 ' H ' ' H ' ' G' ' 73' ' ' GLN . . . 125.18 -79.73 0.36 Allowed Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.48 -61.47 1.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.87 0.367 . . . . 0.0 110.732 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.8 113.24 0.01 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 77' ' ' SER . . . . . 0.496 ' HG ' ' HA ' ' G' ' 77' ' ' SER . 90.4 p 47.56 91.78 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.986 0.422 . . . . 0.0 110.693 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 42.2 m -81.73 110.44 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.932 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.46 -142.49 10.45 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.1 74.66 0.24 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.94 138.87 53.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.935 0.398 . . . . 0.0 110.936 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.6 -45.23 0.69 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.39 132.58 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.741 0.305 . . . . 0.0 110.247 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.23 95.09 4.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.619 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.49 91.52 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.293 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 58.7 p -146.92 -176.44 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.499 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -161.96 141.34 9.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.984 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.29 -176.09 5.42 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.326 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.63 178.26 4.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.32 154.9 31.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.324 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.2 -67.67 0.84 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.657 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.62 103.78 0.18 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.583 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.66 158.98 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.665 0.269 . . . . 0.0 110.363 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.29 140.83 51.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -131.09 125.36 32.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.295 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 96' ' ' SER . . . . . 0.411 ' HB2' HG22 ' H' ' 68' ' ' THR . 11.8 t 59.27 -166.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.526 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.808 0.337 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -138.6 123.17 18.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.339 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 99.7 m -129.98 129.1 43.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 0.0 111.315 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.19 132.51 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.342 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 47' ' ' THR . . . . . 0.405 HG21 ' HD3' ' I' ' 72' ' ' PRO . 1.0 OUTLIER -82.34 -50.95 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.588 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -131.93 -153.16 0.54 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.46 56.25 12.37 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.478 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 50.6 -173.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.528 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.14 -54.69 1.25 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.48 -78.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.644 0.259 . . . . 0.0 110.608 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 71.1 m -129.22 127.36 41.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 72.2 m -101.12 126.03 47.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.389 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.52 137.78 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.63 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -132.49 103.96 6.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.457 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 40.0 t -108.82 110.8 22.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.683 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.88 174.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.75 -161.38 51.46 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.55 -177.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 4.5 t -171.97 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.384 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -123.02 105.43 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.88 103.97 15.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -120.06 133.75 55.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.709 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.99 -161.12 0.11 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.37 -53.98 15.62 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.702 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.05 -100.73 1.19 Allowed Glycine 0 CA--C 1.524 0.613 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.385 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 68' ' ' THR . . . . . 0.413 HG22 ' HB2' ' I' ' 96' ' ' SER . 20.4 p -115.79 112.86 22.61 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.249 -0.18 . . . . 0.0 110.583 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.1 152.31 5.05 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.242 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 97.2 p -112.03 122.1 46.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.223 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.33 173.71 6.88 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.609 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 72' ' ' PRO . . . . . 0.405 ' HD3' HG21 ' I' ' 47' ' ' THR . 89.1 Cg_exo -45.29 172.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.621 2.214 . . . . 0.0 113.243 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -146.95 110.91 5.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.674 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 74' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' H' ' 73' ' ' GLN . . . 125.2 -79.61 0.36 Allowed Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.15 -61.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.467 . . . . 0.0 110.618 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.02 113.4 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 77' ' ' SER . . . . . 0.492 ' HG ' ' HA ' ' H' ' 77' ' ' SER . 92.3 p 47.49 91.85 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.907 0.384 . . . . 0.0 110.67 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 43.9 m -81.53 110.49 16.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.014 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.5 -142.36 10.37 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.23 74.59 0.24 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.94 139.19 52.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.029 0.442 . . . . 0.0 110.927 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.49 -45.21 0.7 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.37 132.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.702 0.287 . . . . 0.0 110.273 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -128.15 95.27 4.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.559 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -115.56 91.47 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.19 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 60.9 p -147.08 -177.21 5.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.07 0.462 . . . . 0.0 111.482 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -161.21 141.53 10.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.021 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.45 -176.39 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.278 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 22.2 t -169.33 178.34 4.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.26 154.7 31.12 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.307 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.27 -67.62 0.85 Allowed 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.599 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.7 103.51 0.18 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.39 -0.909 . . . . 0.0 111.504 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.4 158.85 21.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.7 0.285 . . . . 0.0 110.488 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -129.31 140.78 51.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.07 125.26 32.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.326 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 96' ' ' SER . . . . . 0.413 ' HB2' HG22 ' I' ' 68' ' ' THR . 11.8 t 59.3 -166.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.542 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.487 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.88 0.371 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.87 140.31 58.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -124.9 129.53 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.425 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -148.76 126.5 11.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.359 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.5 m -67.78 -59.27 3.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.027 0.441 . . . . 0.0 111.402 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.3 t -132.63 -163.77 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.802 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.88 67.96 1.89 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 34.79 79.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.028 0.487 . . . . 0.0 111.621 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.57 -62.65 4.67 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.41 78.46 1.64 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.817 0.342 . . . . 0.0 110.15 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 t -133.75 129.25 36.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.924 0.393 . . . . 0.0 110.993 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.0 m -119.32 151.34 38.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.51 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.65 128.54 54.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.7 m -139.34 34.81 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -70.0 161.88 29.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -125.63 148.46 48.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.612 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.01 -155.67 50.97 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.91 130.39 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.49 111.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.709 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.08 122.36 24.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.47 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.49 105.06 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.595 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -120.34 129.46 53.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.411 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.96 -163.68 0.63 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.97 -55.67 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 0.0 110.954 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.27 -100.07 1.25 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -111.63 111.04 21.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 0.0 110.38 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.62 167.75 15.1 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.385 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.76 125.66 42.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.632 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 173.49 6.71 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.929 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' B' ' 72' ' ' PRO . 83.2 Cg_exo -44.5 167.39 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.463 2.109 . . . . 0.0 113.278 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.42 ' H ' ' H ' ' B' ' 74' ' ' GLY . 89.5 mm-40 -140.86 111.43 6.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.956 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.01 -84.84 0.37 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -59.04 1.93 Allowed 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.666 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.67 102.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.84 119.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.5 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m -109.65 100.03 9.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.802 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.86 -147.27 16.13 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.04 72.53 0.43 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -51.64 141.41 16.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.642 0.258 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.52 -47.57 0.67 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.74 0.305 . . . . 0.0 110.306 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.6 m -132.8 93.64 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.58 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.47 97.42 6.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.201 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.5 m -146.42 -179.84 7.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.993 0.425 . . . . 0.0 111.08 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -160.51 126.38 4.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.267 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -141.83 -178.32 5.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.713 0.292 . . . . 0.0 110.546 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -170.59 161.11 7.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.775 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.0 t -163.94 140.68 6.76 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.782 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -142.69 76.55 1.54 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.29 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.72 52.24 0.08 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -97.59 112.74 24.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.695 0.283 . . . . 0.0 110.809 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.12 125.44 33.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.369 . . . . 0.0 110.951 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.38 105.18 8.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.228 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.96 167.81 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.579 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.576 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.868 0.365 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.88 140.35 58.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -124.95 129.59 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.431 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.82 126.52 11.77 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -67.84 -59.74 3.06 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.361 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.19 -163.55 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.68 68.67 1.56 Allowed Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.92 79.26 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.017 0.48 . . . . 0.0 111.67 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.81 -62.71 4.7 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.25 78.39 1.64 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.778 0.323 . . . . 0.0 110.254 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.6 t -133.79 128.77 35.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.114 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.75 151.48 37.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.6 128.59 54.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -139.41 34.82 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.499 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.1 p -69.99 161.88 29.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.614 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.57 148.51 48.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.506 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.97 -155.67 51.01 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.9 130.49 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.61 110.71 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.685 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.79 122.38 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.571 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.45 104.89 16.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.7 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -120.17 129.6 54.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.478 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.17 -163.63 0.67 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.09 -55.62 11.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.668 0.271 . . . . 0.0 110.907 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.38 -100.32 1.27 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 22.0 p -111.23 110.89 21.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.699 0.285 . . . . 0.0 110.444 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.5 167.9 15.21 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.449 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.84 125.48 41.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.661 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.91 173.65 6.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.833 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 89.1 Cg_exo -44.35 169.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.567 2.178 . . . . 0.0 113.066 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.435 ' H ' ' H ' ' C' ' 74' ' ' GLY . 89.1 mm-40 -142.67 110.56 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.938 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' GLY . . . . . 0.42 ' H ' ' H ' ' A' ' 73' ' ' GLN . . . 123.03 -84.67 0.37 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.404 ' CZ ' ' OG ' ' B' ' 86' ' ' SER . 0.1 OUTLIER -95.83 -59.19 1.91 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.672 0.272 . . . . 0.0 110.675 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.95 103.19 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.47 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.55 100.06 9.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.8 -146.57 15.29 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.77 72.61 0.41 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.74 141.75 16.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.905 0.383 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.57 0.67 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.13 131.07 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.697 0.284 . . . . 0.0 110.308 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -132.77 93.76 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.41 97.31 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.282 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' SER . . . . . 0.404 ' OG ' ' CZ ' ' B' ' 75' ' ' TYR . 49.9 m -146.31 -179.97 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 111.204 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.45 126.29 4.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.348 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.77 -178.4 5.65 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.696 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.4 p -170.43 161.05 7.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.819 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 40.4 t -163.7 140.77 7.1 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.93 78.22 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.61 52.28 0.07 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.62 112.72 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.18 125.5 33.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.95 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.13 8.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.226 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.96 167.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.532 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 63.1 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.575 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.901 0.381 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.98 140.32 58.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.3 m -124.83 129.55 50.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -148.81 126.57 11.81 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 23.3 m -67.82 -59.79 3.03 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.43 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.27 -163.56 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.799 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.7 68.77 1.52 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.75 79.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.03 0.488 . . . . 0.0 111.733 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.83 -62.71 4.71 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -141.26 78.41 1.64 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 16.7 t -133.82 128.67 35.19 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.178 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 68.6 m -118.72 151.5 37.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.511 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.56 128.63 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -139.47 34.71 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.493 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -69.98 161.91 29.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.6 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.64 148.48 48.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.549 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.0 -155.55 50.87 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -66.96 130.47 43.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.514 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.59 110.71 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.684 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.71 122.34 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.552 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.5 105.02 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -120.15 129.6 54.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.478 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.19 -163.58 0.67 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.08 -55.72 11.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.676 0.274 . . . . 0.0 110.854 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.4 -100.27 1.26 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -111.35 110.94 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.702 0.287 . . . . 0.0 110.405 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.46 167.97 15.22 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.41 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -126.91 125.56 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.533 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.08 173.74 6.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.732 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 72' ' ' PRO . . . . . 0.421 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 89.4 Cg_exo -44.34 169.11 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.578 2.185 . . . . 0.0 113.005 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 73' ' ' GLN . . . . . 0.431 ' H ' ' H ' ' D' ' 74' ' ' GLY . 88.9 mm-40 -142.75 110.51 5.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.925 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 74' ' ' GLY . . . . . 0.435 ' H ' ' H ' ' B' ' 73' ' ' GLN . . . 123.04 -84.66 0.37 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 75' ' ' TYR . . . . . 0.406 ' CZ ' ' OG ' ' C' ' 86' ' ' SER . 0.1 OUTLIER -95.85 -59.16 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.623 0.249 . . . . 0.0 110.714 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.02 103.18 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.61 99.96 9.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.71 -146.69 15.55 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 72.52 0.42 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.76 141.81 16.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.39 -47.51 0.68 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 110.344 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.81 93.66 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.547 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.3 97.28 6.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.325 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 86' ' ' SER . . . . . 0.406 ' OG ' ' CZ ' ' C' ' 75' ' ' TYR . 50.0 m -146.31 -179.94 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.167 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -160.43 126.25 4.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.334 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.69 -178.36 5.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.729 0.299 . . . . 0.0 110.671 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.9 p -170.47 161.02 7.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.801 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.8 140.7 6.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.981 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.9 78.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.041 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.5 52.33 0.07 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -97.56 112.6 24.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.712 0.292 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.06 125.47 33.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.004 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.41 105.15 8.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.246 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.94 167.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 62.9 t80 . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.523 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.833 0.349 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -63.0 140.41 58.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -124.95 129.47 50.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.523 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.67 126.53 11.9 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.642 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 22.9 m -67.96 -59.42 3.28 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.37 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.52 -163.58 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.886 0.374 . . . . 0.0 110.772 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.76 68.83 1.49 Allowed Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.94 79.4 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.964 0.449 . . . . 0.0 111.481 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.03 -62.59 4.87 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -141.31 78.39 1.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.831 0.348 . . . . 0.0 110.225 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 17.2 t -133.88 128.73 35.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.226 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.65 151.43 37.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.5 128.54 54.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.523 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 45.3 m -139.42 34.82 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.507 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.97 161.86 29.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.617 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.57 148.48 48.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.03 -155.63 50.91 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.83 130.45 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.743 0.306 . . . . 0.0 110.464 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 28.3 t -170.61 110.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.664 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.71 122.5 24.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.456 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.66 105.01 16.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -120.43 129.36 53.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.644 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.95 -163.57 0.61 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.27 -55.15 13.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.633 0.254 . . . . 0.0 110.93 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.86 -100.04 1.27 Allowed Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.45 110.5 20.97 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.748 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.28 168.03 15.49 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.426 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.83 125.63 42.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.18 173.62 6.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.748 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' C' ' 72' ' ' PRO . 89.2 Cg_exo -44.2 169.06 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.626 2.217 . . . . 0.0 113.052 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 73' ' ' GLN . . . . . 0.466 ' H ' ' H ' ' E' ' 74' ' ' GLY . 89.0 mm-40 -142.75 110.45 5.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.936 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 74' ' ' GLY . . . . . 0.431 ' H ' ' H ' ' C' ' 73' ' ' GLN . . . 123.05 -84.52 0.37 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 75' ' ' TYR . . . . . 0.406 ' CZ ' ' OG ' ' D' ' 86' ' ' SER . 0.1 OUTLIER -95.87 -59.27 1.89 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.662 0.268 . . . . 0.0 110.721 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.03 103.12 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.68 119.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 0.0 110.505 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.31 99.88 9.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.82 -146.76 15.49 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.91 72.66 0.41 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -51.84 141.75 16.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.49 -47.52 0.67 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.07 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.681 0.276 . . . . 0.0 110.31 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.73 93.71 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.486 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.4 97.42 6.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.22 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 86' ' ' SER . . . . . 0.406 ' OG ' ' CZ ' ' D' ' 75' ' ' TYR . 50.0 m -146.38 179.99 7.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.943 0.401 . . . . 0.0 111.121 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.36 126.27 4.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.368 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.78 -178.4 5.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.704 0.288 . . . . 0.0 110.681 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.3 p -170.39 161.04 7.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 110.759 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.76 140.53 6.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.86 78.59 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.99 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.4 52.39 0.07 OUTLIER Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.68 112.58 24.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.09 125.46 33.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.881 0.372 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.38 105.24 8.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.183 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.87 167.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.58 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 62.8 t80 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.471 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.861 0.362 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 37.8 t -62.96 140.3 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -124.91 129.68 50.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.451 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -149.1 127.67 12.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.738 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m -72.45 -54.79 8.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 118.641 -1.224 . . . . 0.0 112.054 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 5.9 t -130.99 -162.96 1.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.207 0.527 . . . . 0.0 111.427 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.18 69.91 1.16 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 31.25 81.92 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 O-C-N 124.551 0.795 . . . . 0.0 110.802 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.35 -64.24 3.77 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -140.76 80.03 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.974 0.416 . . . . 0.0 109.969 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 16.9 t -134.74 128.72 33.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 69.2 m -118.83 151.65 37.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.233 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.7 128.57 54.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 46.0 m -139.36 34.78 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -69.96 161.9 29.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.61 148.48 48.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.95 -155.69 51.04 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.85 130.51 43.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.516 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.62 110.79 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.684 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.84 122.29 23.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.42 104.59 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.739 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -119.97 129.6 54.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.287 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.89 -163.66 0.61 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.0 -56.27 9.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.649 0.261 . . . . 0.0 110.896 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.93 -100.46 1.24 Allowed Glycine 0 N--CA 1.464 0.55 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 21.7 p -111.31 110.51 21.02 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.692 0.29 . . . . 0.0 110.39 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.35 168.08 15.31 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.166 -0.614 . . . . 0.0 111.416 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 66.5 m -127.06 126.16 42.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.52 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.72 173.57 6.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 124.661 1.226 . . . . 0.0 109.392 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 88.1 Cg_exo -44.55 169.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 122.6 2.2 . . . . 0.0 112.857 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 73' ' ' GLN . . . . . 0.443 ' H ' ' H ' ' F' ' 74' ' ' GLY . 88.9 mm-40 -142.42 114.0 7.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.281 178.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 74' ' ' GLY . . . . . 0.466 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 120.81 -85.66 0.39 Allowed Glycine 0 CA--C 1.533 1.182 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' E' ' 86' ' ' SER . 0.1 OUTLIER -95.44 -58.56 2.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.002 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.73 103.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.52 120.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.063 0.459 . . . . 0.0 110.299 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.4 99.69 8.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.063 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.68 -146.47 15.32 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.6 72.89 0.37 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -52.21 141.09 19.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.86 -44.85 0.77 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 168.84 131.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.145 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -132.86 93.2 3.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.628 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -113.87 96.42 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.401 0.438 . . . . 0.0 110.29 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' E' ' 75' ' ' TYR . 49.4 m -145.89 179.92 7.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 0.0 111.165 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -160.42 126.44 4.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.404 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -142.13 -178.54 5.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.52 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 96.4 p -170.02 161.11 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.796 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 40.6 t -162.93 141.05 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.11 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.74 77.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.154 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.32 51.66 0.08 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -96.28 112.4 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -130.94 125.62 33.91 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.035 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.19 105.48 8.59 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.721 0.638 . . . . 0.0 109.755 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.81 167.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.754 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 63.2 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.556 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.848 0.356 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 37.0 t -63.03 140.3 58.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -124.81 129.65 50.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.457 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -148.88 126.67 11.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.656 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -67.82 -59.81 3.01 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.364 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.27 -163.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.803 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.56 69.04 1.4 Allowed Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.61 79.28 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.912 0.419 . . . . 0.0 111.747 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.74 -62.8 4.61 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.409 -1.077 . . . . 0.0 110.409 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -141.26 78.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 0.0 110.249 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 16.8 t -133.83 128.68 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.138 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -118.69 151.49 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.501 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.56 128.51 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.522 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -139.43 35.0 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.45 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -70.07 161.92 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -125.64 148.5 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.96 -155.64 50.99 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.86 130.5 43.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.433 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.6 110.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.662 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.9 122.55 24.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.457 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.66 104.83 16.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.72 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -119.9 129.92 54.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.2 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.4 -163.46 0.7 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.02 -56.07 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.684 0.278 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.58 -100.32 1.25 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 21.8 p -111.11 111.05 21.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.668 0.27 . . . . 0.0 110.335 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.55 168.02 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.464 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 65.9 m -126.92 125.53 41.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.614 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.06 173.65 6.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.758 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 72' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 88.8 Cg_exo -44.23 169.09 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.692 2.261 . . . . 0.0 113.036 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 73' ' ' GLN . . . . . 0.438 ' H ' ' H ' ' G' ' 74' ' ' GLY . 88.9 mm-40 -142.8 110.4 5.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.904 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 74' ' ' GLY . . . . . 0.443 ' H ' ' H ' ' E' ' 73' ' ' GLN . . . 123.15 -84.81 0.37 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 75' ' ' TYR . . . . . 0.41 ' CZ ' ' OG ' ' F' ' 86' ' ' SER . 0.1 OUTLIER -95.6 -59.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.625 0.25 . . . . 0.0 110.663 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.07 103.26 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.43 120.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.378 . . . . 0.0 110.488 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.46 100.03 9.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.79 -146.71 15.46 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.84 72.56 0.42 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.72 141.79 16.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.935 0.398 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.54 0.68 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.03 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.743 0.306 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 18.6 m -132.74 93.65 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.35 97.35 6.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 86' ' ' SER . . . . . 0.41 ' OG ' ' CZ ' ' F' ' 75' ' ' TYR . 50.0 m -146.36 179.98 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 111.121 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -160.38 126.33 4.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.338 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.75 -178.31 5.6 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 120.696 0.284 . . . . 0.0 110.714 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -170.47 161.08 7.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.748 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.89 140.74 6.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.988 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.86 78.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.851 -0.339 . . . . 0.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.33 52.37 0.07 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.69 112.58 24.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.712 0.291 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.07 125.46 33.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.964 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.17 8.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.21 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.9 167.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.618 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 t80 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.555 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.857 0.36 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -62.94 140.21 58.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.803 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.9 m -124.78 129.54 50.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.502 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -148.77 126.49 11.79 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.588 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -67.85 -59.78 3.03 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.358 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.33 -163.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.714 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.72 68.78 1.51 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 33.84 79.29 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.974 0.455 . . . . 0.0 111.753 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.9 -62.68 4.76 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.31 78.4 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.799 0.333 . . . . 0.0 110.168 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 16.6 t -133.86 128.7 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.092 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -118.7 151.5 37.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.574 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.55 128.43 54.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 46.0 m -139.32 34.91 2.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.491 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 83.1 p -70.03 161.87 29.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -125.61 148.42 48.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.09 -155.65 50.83 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.9 130.42 43.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.53 110.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.84 122.42 24.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.541 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.53 104.96 16.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 93.3 m -120.06 129.59 54.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.462 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.23 -163.48 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.12 -55.75 11.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.708 0.289 . . . . 0.0 110.893 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.35 -100.34 1.27 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.23 110.86 21.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.671 0.272 . . . . 0.0 110.435 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.4 168.01 15.28 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.487 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 65.7 m -126.88 125.6 41.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.616 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.09 173.64 6.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.799 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 72' ' ' PRO . . . . . 0.42 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 89.2 Cg_exo -44.25 169.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.612 2.208 . . . . 0.0 112.992 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 73' ' ' GLN . . . . . 0.44 ' H ' ' H ' ' H' ' 74' ' ' GLY . 88.6 mm-40 -142.78 110.38 5.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.956 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 74' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' F' ' 73' ' ' GLN . . . 123.19 -84.6 0.37 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 75' ' ' TYR . . . . . 0.41 ' CZ ' ' OG ' ' G' ' 86' ' ' SER . 0.1 OUTLIER -95.8 -59.35 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.665 0.269 . . . . 0.0 110.619 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.12 103.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 110.476 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.51 99.96 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.75 -146.61 15.39 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 72.56 0.42 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -51.69 141.75 16.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.42 -47.53 0.68 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.09 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.669 0.271 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -132.76 93.64 3.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.548 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.36 97.33 6.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.293 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 86' ' ' SER . . . . . 0.41 ' OG ' ' CZ ' ' G' ' 75' ' ' TYR . 50.2 m -146.28 -179.9 7.06 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.149 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.48 126.27 4.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.294 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.76 -178.35 5.62 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 95.8 p -170.43 161.07 7.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.789 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 40.2 t -163.77 140.75 7.0 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.99 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.98 78.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.27 52.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.67 112.57 24.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.04 125.46 33.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.39 105.13 8.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.199 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.95 167.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.438 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.867 0.365 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 37.4 t -62.96 140.25 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -124.79 129.64 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.435 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -148.88 126.61 11.78 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.55 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 23.2 m -67.97 -59.77 3.01 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.326 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.27 -163.53 1.35 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.913 0.387 . . . . 0.0 110.708 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.67 68.78 1.52 Allowed Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 33.81 79.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.014 0.479 . . . . 0.0 111.697 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.79 -62.77 4.66 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.24 78.43 1.64 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.786 0.327 . . . . 0.0 110.213 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 17.0 t -133.9 128.59 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.122 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.64 151.56 37.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.59 128.48 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 46.2 m -139.36 34.79 2.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.98 161.93 29.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -125.62 148.45 48.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.98 -155.65 50.98 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.91 130.49 43.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.8 0.334 . . . . 0.0 110.455 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.59 110.72 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.727 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.7 122.36 23.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.572 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.56 104.96 16.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.682 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 94.1 m -120.14 129.71 54.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.387 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.31 -163.49 0.68 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.17 -55.69 11.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.617 0.246 . . . . 0.0 110.896 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.37 -100.41 1.28 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.27 110.9 21.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.638 0.256 . . . . 0.0 110.43 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.46 168.02 15.16 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.42 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 66.0 m -126.88 125.55 41.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.616 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.04 173.61 6.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.716 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 88.7 Cg_exo -44.3 169.19 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 122.612 2.208 . . . . 0.0 113.045 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 73' ' ' GLN . . . . . 0.439 ' H ' ' H ' ' I' ' 74' ' ' GLY . 88.7 mm-40 -142.85 110.54 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.892 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 74' ' ' GLY . . . . . 0.44 ' H ' ' H ' ' G' ' 73' ' ' GLN . . . 123.19 -84.71 0.37 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' H' ' 86' ' ' SER . 0.1 OUTLIER -95.7 -59.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.633 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.02 103.32 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.42 120.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 0.0 110.489 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.45 99.92 9.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.71 -146.62 15.46 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.86 72.73 0.4 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -51.91 141.83 16.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.964 0.412 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.48 0.68 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.11 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.75 0.31 . . . . 0.0 110.297 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -132.73 93.66 3.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.38 97.34 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.242 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' H' ' 75' ' ' TYR . 49.9 m -146.3 -179.95 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.21 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -160.46 126.27 4.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.36 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.76 -178.33 5.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.703 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 96.1 p -170.51 161.03 7.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 110.789 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.77 140.67 6.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.004 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -142.94 78.88 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.996 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.22 52.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -97.67 112.49 24.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.721 0.296 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.03 125.49 33.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.944 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.37 105.22 8.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.193 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.83 167.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.547 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.848 0.356 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -62.88 140.31 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.809 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -125.02 129.55 50.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.473 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -148.54 127.83 12.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.548 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 21.9 m -69.43 -59.5 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.084 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 6.6 t -132.61 -163.48 1.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.662 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.63 68.8 1.5 Allowed Glycine 0 CA--C 1.521 0.417 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 33.65 79.82 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.9 0.412 . . . . 0.0 111.598 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.12 -62.84 4.71 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.374 -1.091 . . . . 0.0 110.374 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -141.42 78.77 1.65 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.81 0.338 . . . . 0.0 110.195 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 17.7 t -134.25 128.66 34.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.903 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 68.9 m -118.71 151.5 37.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.517 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.52 128.44 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 47.0 m -139.35 34.89 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.459 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.95 161.89 29.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.63 148.5 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.528 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.92 -155.66 51.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.85 130.42 43.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.751 0.31 . . . . 0.0 110.51 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.53 110.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.692 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.82 122.44 24.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.508 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.7 104.95 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.631 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 94.4 m -120.01 129.81 54.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.419 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.47 -163.32 0.7 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.44 -55.58 12.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.186 -0.206 . . . . 0.0 110.748 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.24 -100.51 1.3 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 22.0 p -111.18 110.87 21.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.47 168.03 15.14 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.279 -0.569 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -126.69 126.15 43.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.509 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.36 173.62 6.57 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.617 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -44.7 169.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.521 2.148 . . . . 0.0 112.897 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -142.98 111.01 6.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.308 -0.86 . . . . 0.0 108.957 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 74' ' ' GLY . . . . . 0.439 ' H ' ' H ' ' H' ' 73' ' ' GLN . . . 123.13 -84.48 0.37 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' I' ' 86' ' ' SER . 0.1 OUTLIER -95.35 -59.72 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.969 0.414 . . . . 0.0 110.602 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.59 103.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.5 120.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.471 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -109.46 99.73 8.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.41 -146.57 15.76 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.89 72.66 0.41 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -51.82 142.05 15.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.96 0.409 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.34 -47.48 0.68 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.14 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.679 0.276 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.75 93.67 3.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.573 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.33 97.21 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.224 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' I' ' 75' ' ' TYR . 50.1 m -146.43 179.55 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.14 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -159.89 126.4 4.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.8 -178.69 5.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 110.692 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -170.21 161.02 8.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 40.2 t -163.77 140.87 7.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.003 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -143.17 80.24 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.21 52.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -97.7 112.5 24.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.684 0.278 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.17 125.47 33.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.13 8.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.247 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.94 167.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.569 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.435 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.799 0.333 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.7 t -94.8 160.33 14.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -136.53 133.23 36.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.212 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -149.71 127.77 11.96 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.523 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.4 ' OG1' HG22 ' B' ' 47' ' ' THR . 4.9 t -83.17 -38.12 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.2 t -136.98 137.68 39.74 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.693 0.282 . . . . 0.0 110.841 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.35 73.79 0.85 Allowed Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.305 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 28.23 71.51 0.05 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 124.169 0.57 . . . . 0.0 112.44 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.66 93.92 0.06 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.58 92.48 0.08 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.898 0.38 . . . . 0.0 110.071 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -147.47 154.29 40.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.498 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -143.04 146.51 33.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -126.64 137.56 53.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.337 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -144.99 35.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -61.31 148.44 41.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.26 144.88 43.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.52 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.45 -159.77 51.62 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.91 133.63 55.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.448 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 94.2 p -173.01 114.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.668 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.5 122.8 25.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.13 101.09 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.6 m -117.45 128.37 54.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.543 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.01 -162.29 1.07 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.74 -56.43 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.01 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.46 -97.1 1.13 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.4 p -113.34 110.11 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.357 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.37 164.15 17.45 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.612 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.46 121.8 36.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.307 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.8 p -70.16 170.26 10.79 Favored Pre-proline 0 N--CA 1.464 0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.812 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.69 107.18 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.073 1.849 . . . . 0.0 112.185 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -75.2 113.05 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.094 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.92 -92.99 0.22 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.99 -60.12 1.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.174 -0.21 . . . . 0.0 110.819 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.17 108.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.11 101.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.924 0.392 . . . . 0.0 110.885 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 79.3 m -101.15 100.31 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.329 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.01 -143.9 15.68 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.36 76.05 0.16 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -61.36 137.38 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 111.232 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.06 -45.82 0.69 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t 171.42 132.87 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.38 -71.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.351 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.81 81.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.947 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 t -148.08 -176.66 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.5 127.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.109 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -139.65 -176.46 4.56 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.799 0.333 . . . . 0.0 111.056 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.1 t -155.94 160.57 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.833 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.2 t -135.65 130.42 34.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -143.0 95.75 2.82 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.906 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.58 56.42 0.24 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.93 110.85 23.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.729 0.299 . . . . 0.0 110.571 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -141.01 134.65 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.765 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.85 135.53 43.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.163 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.0 p -149.05 162.89 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.515 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.554 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.713 0.292 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 12.3 t -94.79 160.27 14.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -136.56 133.27 36.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.194 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.67 127.79 12.0 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.9 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.41 ' OG1' HG22 ' C' ' 47' ' ' THR . 4.6 t -83.46 -38.04 22.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.84 138.03 40.35 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.86 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 106.68 76.0 0.98 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.985 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' B' ' 49' ' ' GLY . 65.4 m-85 25.99 72.03 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.08 93.98 0.06 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.65 92.39 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.47 154.23 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -143.04 146.54 33.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -126.67 137.41 53.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.393 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 91.8 p -144.81 35.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 70.1 m -61.23 148.47 40.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.27 144.83 43.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.56 -159.76 51.47 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.89 133.61 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 94.1 p -173.0 113.98 0.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.705 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.32 122.76 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.12 101.11 12.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -117.21 128.48 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.17 -162.12 1.1 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.9 -56.45 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.599 0.238 . . . . 0.0 110.881 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -97.45 1.16 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 25.2 p -112.94 110.01 19.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.652 0.263 . . . . 0.0 110.373 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.85 17.41 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.671 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 41.5 t -123.07 121.67 36.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.27 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' THR . . . . . 0.4 ' H ' HG23 ' B' ' 71' ' ' THR . 7.0 p -70.16 170.65 9.54 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.83 106.0 0.2 Allowed 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.235 1.956 . . . . 0.0 112.397 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -74.02 113.52 11.29 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.381 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.9 -92.76 0.22 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.95 -60.16 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 110.784 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.34 109.05 0.01 OUTLIER Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.07 101.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.966 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 82.6 m -100.81 100.0 10.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.81 -143.14 14.21 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.08 76.27 0.15 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -61.55 137.62 58.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.08 0.467 . . . . 0.0 111.29 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.04 -45.58 0.7 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.37 132.88 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.4 -71.08 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.343 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.91 81.64 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.965 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.94 -176.53 5.31 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.45 127.6 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.207 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.62 -176.5 4.58 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.235 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.91 160.43 40.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.42 130.35 34.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.513 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -143.17 96.31 2.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.16 56.82 0.24 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.96 110.72 23.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.73 0.3 . . . . 0.0 110.65 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.67 30.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.747 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.87 135.52 43.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.23 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -148.94 163.0 38.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.501 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.739 0.304 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 12.3 t -94.79 160.3 14.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.53 133.27 36.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.224 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.67 127.68 11.92 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.937 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' THR . . . . . 0.411 ' OG1' HG22 ' D' ' 47' ' ' THR . 4.5 t -83.52 -37.96 22.38 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -136.82 138.03 40.38 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.857 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 106.58 76.09 0.99 Allowed Glycine 0 CA--C 1.523 0.591 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.997 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' C' ' 49' ' ' GLY . 65.7 m-85 25.9 72.04 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.0 93.88 0.06 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.72 92.32 0.08 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.969 0.414 . . . . 0.0 110.073 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 39.8 t -147.47 154.25 40.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.591 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.07 146.58 33.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.624 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -126.71 137.47 53.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.317 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 91.1 p -144.97 35.28 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -61.37 148.52 41.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.55 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.27 144.9 43.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.43 -159.86 51.71 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.8 133.65 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.455 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 94.4 p -173.04 113.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.735 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.26 122.8 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.467 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.12 101.04 11.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 92.7 m -117.21 128.61 55.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.591 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.24 -162.04 1.11 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.96 -56.49 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.578 0.228 . . . . 0.0 110.858 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.77 -97.51 1.15 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -112.97 110.07 19.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.92 17.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.609 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 41.4 t -123.17 121.64 36.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.231 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.405 ' H ' HG23 ' C' ' 71' ' ' THR . 6.9 p -70.22 170.79 9.17 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.755 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.84 105.82 0.19 Allowed 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 122.326 2.017 . . . . 0.0 112.389 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.9 113.49 11.12 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.402 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.99 -92.78 0.22 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.85 -60.17 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.35 109.06 0.01 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.02 102.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.392 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 82.3 m -100.8 100.08 10.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.431 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.79 -143.19 14.32 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.24 76.21 0.15 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.59 137.59 58.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.103 0.478 . . . . 0.0 111.207 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.05 -45.59 0.7 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.33 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.37 -71.16 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.362 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.9 81.66 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -147.96 -176.61 5.34 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.8 t -171.36 127.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.22 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.49 4.57 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.242 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.87 160.41 40.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.808 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.37 130.31 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.538 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -143.15 96.41 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.001 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.06 56.88 0.24 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -97.04 110.7 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.77 0.319 . . . . 0.0 110.502 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.93 134.68 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.801 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.87 135.55 43.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.221 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -148.93 162.96 38.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.028 -0.986 . . . . 0.0 110.559 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.812 0.339 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.78 160.37 14.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.033 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 9.3 t -136.73 133.02 35.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.4 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.53 127.72 12.06 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.917 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 47' ' ' THR . . . . . 0.411 HG22 ' OG1' ' C' ' 47' ' ' THR . 4.6 t -83.52 -38.11 22.18 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.968 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.64 138.09 40.78 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.908 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 106.67 76.16 0.99 Allowed Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.009 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' D' ' 49' ' ' GLY . 65.9 m-85 25.94 72.02 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.22 93.99 0.07 OUTLIER Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.68 92.35 0.08 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.987 0.422 . . . . 0.0 110.112 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.43 154.26 40.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.602 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 47.0 t -143.06 146.53 33.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -126.65 137.32 53.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.403 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 91.6 p -144.86 35.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.566 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -61.39 148.39 41.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.18 144.87 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.43 -159.88 51.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.89 133.64 55.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 110.459 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 93.6 p -173.02 114.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.632 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.3 122.95 25.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.3 100.98 11.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -117.33 128.55 55.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.547 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.17 -162.09 1.1 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.99 -56.23 9.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.482 0.182 . . . . 0.0 110.926 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.43 -97.44 1.17 Allowed Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -113.0 109.85 19.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.586 0.231 . . . . 0.0 110.537 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.31 163.92 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.064 -0.655 . . . . 0.0 111.602 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.07 121.66 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.259 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 71' ' ' THR . . . . . 0.406 ' H ' HG23 ' D' ' 71' ' ' THR . 6.9 p -70.21 170.83 9.04 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.724 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.95 105.91 0.2 Allowed 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.207 1.938 . . . . 0.0 112.45 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.97 113.59 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.309 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.89 -92.8 0.22 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.73 -60.32 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.37 109.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.08 101.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.975 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 84.5 m -100.86 99.95 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.473 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.75 -143.32 14.57 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.23 76.25 0.15 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -61.64 137.84 58.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.1 0.476 . . . . 0.0 111.167 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.91 -45.63 0.7 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.41 132.9 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.714 0.292 . . . . 0.0 110.224 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.34 -71.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.344 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.83 81.72 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.96 -176.56 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -171.44 127.58 0.66 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.246 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.49 4.57 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.2 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.9 160.3 40.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.33 130.34 34.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.469 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -143.32 96.33 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.027 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.19 56.83 0.24 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.94 110.71 23.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.703 0.287 . . . . 0.0 110.586 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.74 30.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.792 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.95 135.53 43.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.186 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -148.98 163.09 38.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.518 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.563 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.726 0.298 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.78 160.26 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -136.57 133.32 36.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.273 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -149.95 128.66 12.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.024 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 47' ' ' THR . . . . . 0.414 ' OG1' HG22 ' F' ' 47' ' ' THR . 4.8 t -84.62 -40.14 17.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.698 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -131.21 137.16 48.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 49' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 108.55 71.66 0.73 Allowed Glycine 0 C--O 1.22 -0.746 0 C-N-CA 118.77 -1.681 . . . . 0.0 112.782 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 50' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' E' ' 49' ' ' GLY . 68.3 m-85 25.31 76.3 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.268 0.627 . . . . 0.0 111.418 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.82 91.97 0.07 OUTLIER Glycine 0 CA--C 1.519 0.3 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 69.51 92.58 0.08 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.013 0.435 . . . . 0.0 110.008 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 40.1 t -147.58 154.27 40.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.54 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 47.2 t -142.87 146.9 34.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.499 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -126.83 137.52 53.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.469 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 90.6 p -144.92 35.27 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 69.9 m -61.36 148.44 41.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.532 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.18 144.81 43.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.6 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.51 -159.79 51.56 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.9 133.7 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 94.4 p -173.11 114.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.651 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.34 122.73 25.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.527 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.16 100.8 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.09 128.47 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.455 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.8 -162.31 1.0 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -56.97 7.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.591 0.234 . . . . 0.0 110.925 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.06 -97.59 1.14 Allowed Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.463 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -113.13 109.73 19.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.089 0.523 . . . . 0.0 110.236 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.2 164.07 17.85 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.63 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 41.3 t -123.46 122.69 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.165 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 7.6 p -71.37 170.83 10.35 Favored Pre-proline 0 CA--C 1.532 0.267 0 O-C-N 124.741 1.276 . . . . 0.0 109.284 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.69 108.34 0.37 Allowed 'Trans proline' 0 N--CA 1.503 2.048 0 C-N-CA 121.62 1.547 . . . . 0.0 111.821 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -75.38 114.39 13.86 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.071 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.33 -92.66 0.22 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.41 -58.92 1.94 Allowed 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.126 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.63 109.98 0.01 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t 55.91 103.13 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.19 0.519 . . . . 0.0 110.704 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 83.7 m -101.21 100.4 10.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.428 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.12 -142.73 13.61 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.16 75.65 0.17 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.384 -0.687 . . . . 0.0 111.384 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -61.64 137.44 58.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.189 0.519 . . . . 0.0 111.186 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.18 -43.61 0.77 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 169.33 133.24 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.03 0.443 . . . . 0.0 110.053 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.54 -71.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.147 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 53.2 81.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.987 0.805 . . . . 0.0 110.832 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.9 -176.65 5.35 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.41 127.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.188 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -139.68 -176.6 4.62 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 121.434 0.635 . . . . 0.0 111.149 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.14 161.38 41.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.813 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 11.0 t -135.7 130.18 33.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -142.39 94.83 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.88 56.7 0.23 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.17 110.55 22.81 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.812 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -140.91 134.73 30.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.754 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -133.61 135.29 44.12 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.836 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -148.71 163.05 38.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.561 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 71.6 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.573 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.786 0.327 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.83 160.34 14.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -136.52 133.45 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.207 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.84 127.71 11.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.933 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 47' ' ' THR . . . . . 0.414 HG22 ' OG1' ' E' ' 47' ' ' THR . 4.5 t -83.32 -38.23 22.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.964 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.67 138.16 40.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 106.35 76.36 1.02 Allowed Glycine 0 C--O 1.223 -0.534 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.95 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' F' ' 49' ' ' GLY . 65.7 m-85 25.54 72.18 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.11 93.85 0.06 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.74 92.35 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.932 0.396 . . . . 0.0 110.075 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -147.54 154.25 40.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.08 146.54 33.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -126.7 137.4 53.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.436 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 91.1 p -144.83 35.25 1.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.639 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -61.38 148.46 41.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.487 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -115.24 144.83 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.48 -159.86 51.65 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.86 133.68 55.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.443 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 94.0 p -173.02 114.02 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.31 122.8 25.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.478 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.28 101.04 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.16 128.66 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.419 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.26 -161.95 1.1 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -56.66 8.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 110.853 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.76 -97.49 1.15 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 25.4 p -112.88 110.09 19.96 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.43 163.92 17.31 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.568 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.16 121.61 36.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.279 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 71' ' ' THR . . . . . 0.409 ' H ' HG23 ' F' ' 71' ' ' THR . 7.1 p -70.07 170.77 9.05 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.752 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.89 105.83 0.19 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.277 1.985 . . . . 0.0 112.444 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.93 113.7 11.39 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.306 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.78 -92.99 0.22 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.55 -60.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.788 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.39 109.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t 57.04 102.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 82.4 m -100.82 100.19 10.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.414 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.83 -143.24 14.4 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.23 76.2 0.15 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.61 137.53 58.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 111.252 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.04 -45.58 0.7 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.37 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -104.33 -71.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.358 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.96 81.67 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.97 -176.51 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 111.07 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -171.51 127.63 0.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.105 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.62 -176.38 4.53 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 111.254 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.99 160.38 40.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 11.2 t -135.45 130.4 34.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.511 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.16 96.51 2.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.01 56.74 0.25 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.86 110.63 23.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.73 0.3 . . . . 0.0 110.62 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.63 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.764 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.88 135.58 43.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.229 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 87.6 p -148.96 163.01 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.551 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.533 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.739 0.304 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.75 160.26 14.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.031 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.42 133.21 36.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.27 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.72 127.73 11.92 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.911 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 47' ' ' THR . . . . . 0.41 ' OG1' HG22 ' H' ' 47' ' ' THR . 4.5 t -83.62 -38.03 22.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.964 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 43.3 t -136.74 138.13 40.64 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.853 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 106.61 76.05 0.99 Allowed Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.978 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' G' ' 49' ' ' GLY . 65.3 m-85 25.87 72.17 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.13 93.92 0.06 OUTLIER Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.7 92.36 0.08 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.914 0.388 . . . . 0.0 110.098 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.51 154.19 40.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.578 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.03 146.54 33.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.643 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -126.67 137.43 53.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -144.88 35.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.595 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.9 m -61.4 148.54 41.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.519 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.32 144.88 43.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.46 -159.79 51.62 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.97 133.72 55.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 94.6 p -173.02 114.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.683 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.3 122.83 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.29 101.07 11.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.63 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.22 128.54 55.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.26 -162.05 1.12 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -56.49 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.6 0.238 . . . . 0.0 110.861 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.68 -97.48 1.16 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -112.95 110.01 19.8 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.91 17.4 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.613 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 41.5 t -123.09 121.66 36.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.199 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 71' ' ' THR . . . . . 0.415 ' H ' HG23 ' G' ' 71' ' ' THR . 6.9 p -70.21 170.83 9.01 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.724 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.88 105.78 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.258 1.972 . . . . 0.0 112.464 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.83 113.56 11.12 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.424 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.0 -92.88 0.22 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.87 -60.17 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.756 0.312 . . . . 0.0 110.865 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.37 109.09 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.04 102.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 83.7 m -100.85 100.02 10.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.73 -143.19 14.31 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.19 76.16 0.15 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -61.65 137.73 58.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.142 0.496 . . . . 0.0 111.161 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.94 -45.57 0.7 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.38 132.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.696 0.284 . . . . 0.0 110.239 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.29 -71.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.395 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.9 81.61 0.08 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.943 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.93 -176.5 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.201 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -171.44 127.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.16 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.68 -176.44 4.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 111.232 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.92 160.42 40.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.43 130.37 34.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.486 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -143.18 96.51 2.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.02 56.86 0.24 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.98 110.81 23.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.619 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -141.0 134.67 30.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.9 135.52 43.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.223 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 87.6 p -148.95 163.07 38.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.546 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.54 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.8 0.333 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.77 160.29 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.49 133.31 36.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.253 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.71 127.7 11.9 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.911 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 47' ' ' THR . . . . . 0.41 HG22 ' OG1' ' G' ' 47' ' ' THR . 4.5 t -83.56 -38.01 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.739 -0.384 . . . . 0.0 112.003 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.82 137.97 40.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 106.73 76.12 0.99 Allowed Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.971 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' H' ' 49' ' ' GLY . 65.6 m-85 25.84 72.13 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.13 93.95 0.06 OUTLIER Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.66 92.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.906 0.384 . . . . 0.0 110.136 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 39.8 t -147.37 154.25 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.559 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 47.4 t -143.01 146.49 33.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.68 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -126.59 137.44 53.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.359 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 89.7 p -144.94 35.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.556 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 70.1 m -61.35 148.46 41.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.23 144.87 43.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.532 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.45 -159.84 51.68 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.86 133.62 55.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.464 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 94.3 p -172.98 114.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.666 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.46 122.82 25.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.438 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.25 101.06 11.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.613 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 92.9 m -117.25 128.55 55.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.18 -161.91 1.07 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.15 -56.39 9.35 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.916 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -97.45 1.16 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -112.99 110.02 19.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.38 163.89 17.43 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.593 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 41.7 t -123.07 121.62 36.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.305 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 6.8 p -70.1 170.86 8.8 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.72 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.93 105.82 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.195 1.93 . . . . 0.0 112.473 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.89 113.65 11.29 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.398 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.94 -92.84 0.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.77 -60.28 1.68 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.47 109.16 0.01 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.04 101.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.989 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 84.0 m -100.73 100.01 10.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.416 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.74 -143.17 14.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.16 76.31 0.15 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.65 137.61 58.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.205 0.526 . . . . 0.0 111.171 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.99 -45.47 0.7 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.33 132.89 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.33 -71.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.382 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.79 81.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -148.0 -176.57 5.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -171.43 127.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.178 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.59 4.61 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.285 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.81 160.4 40.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -135.36 130.33 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.514 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.18 96.49 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.999 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.08 56.78 0.24 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.84 110.62 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.715 0.293 . . . . 0.0 110.653 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.94 134.64 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.803 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.85 135.58 43.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.24 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -148.99 163.05 38.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.549 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.562 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.8 160.19 14.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -136.46 133.28 36.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.308 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -149.53 129.26 13.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.79 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 47' ' ' THR . . . . . 0.41 HG22 ' OG1' ' H' ' 47' ' ' THR . 4.6 t -85.4 -38.31 18.84 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.468 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -136.42 138.13 41.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 49' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 106.69 76.09 0.99 Allowed Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.015 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 50' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' I' ' 49' ' ' GLY . 64.4 m-85 25.73 73.35 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.29 93.93 0.08 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.74 92.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.898 0.38 . . . . 0.0 110.071 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.26 154.24 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.529 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 47.0 t -142.99 146.52 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -126.59 137.41 53.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.423 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 91.0 p -144.89 35.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.518 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -61.33 148.46 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.56 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.24 144.78 43.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.55 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.54 -159.76 51.5 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.91 133.59 55.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.463 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 94.0 p -172.98 114.12 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -77.41 122.84 25.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.519 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.33 101.08 11.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -117.03 128.78 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.48 -161.81 1.15 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -56.57 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.739 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.75 -97.67 1.17 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -112.79 110.04 19.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.52 163.98 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.314 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 42.0 t -123.12 122.59 38.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.128 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 7.1 p -71.02 170.91 9.68 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.02 105.93 0.2 Allowed 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 122.3 2.0 . . . . 0.0 112.281 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.93 113.78 11.49 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.408 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.05 -92.72 0.21 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.53 -60.33 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 110.955 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.57 109.37 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.0 102.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 87.5 m -100.54 99.76 10.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.559 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.45 -142.98 13.93 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.14 76.37 0.14 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.62 138.15 58.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.229 0.537 . . . . 0.0 111.052 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.79 -45.45 0.71 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 6.0 t 171.34 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.5 m -104.25 -71.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.336 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.87 81.58 0.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -148.13 -176.98 5.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 111.013 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -171.01 127.65 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.248 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.71 -176.86 4.71 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.133 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 48.2 t -155.54 160.41 40.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t -135.21 130.22 34.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.558 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -143.39 97.07 3.01 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.142 0.496 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 119.64 57.23 0.25 Allowed Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.417 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.87 110.57 23.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.76 0.314 . . . . 0.0 110.73 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -140.98 134.73 30.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.786 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.89 135.54 43.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.177 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -149.0 162.99 38.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.564 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.797 0.332 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -131.41 144.39 51.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.1 m -135.19 132.99 38.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -139.12 141.97 38.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.29 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.63 -52.34 1.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -133.71 127.31 32.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.837 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.25 77.18 0.96 Allowed Glycine 0 CA--C 1.527 0.814 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.373 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 34.09 69.84 0.14 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.11 95.23 0.34 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 68.56 97.03 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 0.0 110.518 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.9 p -163.85 168.23 19.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.38 157.15 39.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.33 131.52 51.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.2 149.9 45.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.623 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.87 130.94 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.464 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.53 152.72 6.37 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -174.18 132.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.707 0.289 . . . . 0.0 110.61 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 m -118.59 -22.1 7.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.8 126.98 9.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.635 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -132.46 107.38 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -116.25 129.86 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.11 -161.85 0.49 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.74 -52.49 23.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.7 -111.92 2.43 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -111.24 104.7 13.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.264 0.554 . . . . 0.0 110.194 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -141.46 140.55 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.711 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.7 m -107.05 125.76 51.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.308 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.412 HG22 ' HD2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -84.56 172.94 7.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.069 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HD2' HG22 ' A' ' 71' ' ' THR . 69.4 Cg_exo -47.99 179.3 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.778 2.319 . . . . 0.0 113.909 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.438 ' NE2' ' HB2' ' A' ' 90' ' ' SER . 33.8 mt-30 -147.11 111.76 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.057 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.76 -80.29 0.35 Allowed Glycine 0 CA--C 1.527 0.83 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -123.18 97.05 5.24 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.163 0.506 . . . . 0.0 110.102 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.88 -87.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.317 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -152.16 171.11 18.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.426 . . . . 0.0 111.3 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.0 p -127.95 147.4 50.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.272 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.87 87.6 0.3 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.35 147.25 4.77 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -91.28 55.25 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.042 0.448 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.29 -71.56 0.6 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -166.65 107.94 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 0.0 110.554 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.44 83.31 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.331 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.29 133.18 34.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.709 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -154.73 -175.54 5.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.021 0.439 . . . . 0.0 111.348 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -145.91 119.39 9.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.61 -178.46 7.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -172.22 159.97 4.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.767 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.438 ' HB2' ' NE2' ' A' ' 73' ' ' GLN . 89.0 p -163.38 166.33 23.0 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.793 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.55 76.18 0.19 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.313 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.79 47.72 0.1 OUTLIER Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.75 118.44 34.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.629 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -131.18 123.97 29.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.87 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.352 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.55 55.68 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.439 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.521 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.812 0.339 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.3 144.29 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.23 132.79 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -138.73 141.68 38.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.431 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.77 -52.35 1.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.146 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.2 t -133.41 127.76 34.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.775 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.61 79.6 1.16 Allowed Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.0 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.31 70.51 0.09 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.44 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.64 96.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.825 0.345 . . . . 0.0 110.543 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 77.9 p -163.76 168.14 20.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.527 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 92.8 p -153.32 157.18 39.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.598 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.31 131.51 51.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 50.8 m -140.84 23.99 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 70.0 m -71.27 149.99 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.634 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.93 130.98 42.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.443 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.52 152.84 6.44 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.27 132.19 0.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.742 0.306 . . . . 0.0 110.545 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.66 -21.83 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.96 126.86 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.642 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -132.44 107.35 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -116.15 130.0 56.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.624 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.32 -161.75 0.52 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.92 -52.46 24.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 110.731 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.86 -112.19 2.47 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.03 104.59 13.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.994 0.426 . . . . 0.0 110.213 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.42 140.37 33.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.702 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 69.9 m -106.68 125.64 51.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.375 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' THR . . . . . 0.415 HG22 ' HD2' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -84.23 173.27 7.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.942 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 72' ' ' PRO . . . . . 0.415 ' HD2' HG22 ' B' ' 71' ' ' THR . 78.2 Cg_exo -47.75 -178.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.925 2.417 . . . . 0.0 113.777 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.435 ' NE2' ' HB2' ' B' ' 90' ' ' SER . 33.8 mt-30 -149.25 110.75 4.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.053 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.69 -79.99 0.35 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.98 97.04 5.26 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.13 -87.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.479 -0.649 . . . . 0.0 111.479 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -152.05 171.51 17.74 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 66.1 p -128.0 147.77 50.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.223 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.01 87.71 0.3 Allowed Glycine 0 CA--C 1.528 0.844 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.22 147.36 4.8 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -91.14 55.76 2.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.387 . . . . 0.0 110.663 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.57 -71.42 0.58 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.72 107.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.764 0.316 . . . . 0.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.35 83.36 2.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.323 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.31 132.76 34.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.806 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 22.4 m -154.29 -175.5 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.045 0.45 . . . . 0.0 111.343 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -145.85 119.29 9.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.33 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.59 -178.44 7.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 45.9 t -172.17 159.93 5.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.787 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.435 ' HB2' ' NE2' ' B' ' 73' ' ' GLN . 87.7 p -163.36 166.23 23.17 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.012 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.76 78.07 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.19 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.0 47.77 0.09 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.79 118.31 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.322 . . . . 0.0 110.699 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.23 123.86 29.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.672 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.51 129.88 33.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.354 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.6 55.63 6.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.398 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.637 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.718 0.294 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -131.29 144.2 51.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 92.6 m -135.1 132.79 38.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -138.77 141.64 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.442 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.73 -52.47 1.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.41 127.88 34.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.737 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.51 79.73 1.17 Allowed Glycine 0 CA--C 1.524 0.631 0 C-N-CA 120.411 -0.899 . . . . 0.0 111.998 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.42 70.48 0.09 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.55 95.29 0.37 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.62 96.86 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.901 0.381 . . . . 0.0 110.53 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 78.2 p -163.75 168.27 19.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.507 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.44 157.09 39.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.543 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -126.28 131.56 51.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.84 24.05 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -71.26 149.89 45.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.679 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.75 131.0 42.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.462 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.5 152.78 6.38 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.23 132.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.773 0.321 . . . . 0.0 110.51 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.74 -21.88 7.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.99 126.9 8.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.588 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -132.48 107.34 8.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.12 130.04 56.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.568 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.29 -161.78 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.96 -52.38 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.658 0.265 . . . . 0.0 110.768 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.84 -112.12 2.46 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.12 104.62 13.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.04 0.448 . . . . 0.0 110.173 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.4 140.53 33.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.662 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 70.5 m -106.91 125.63 51.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.319 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.416 HG22 ' HD2' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -84.12 173.31 7.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.92 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 72' ' ' PRO . . . . . 0.416 ' HD2' HG22 ' C' ' 71' ' ' THR . 77.9 Cg_exo -47.72 -178.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.996 2.464 . . . . 0.0 113.73 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 73' ' ' GLN . . . . . 0.438 ' NE2' ' HB2' ' C' ' 90' ' ' SER . 33.8 mt-30 -149.35 110.78 4.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.079 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.74 -79.98 0.35 Allowed Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.03 97.15 5.3 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.1 -87.0 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.07 171.5 17.78 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.256 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 65.3 p -128.03 147.87 50.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.205 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.14 87.81 0.3 Allowed Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.18 147.38 4.81 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -91.22 55.96 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.98 0.419 . . . . 0.0 110.678 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.67 -71.37 0.58 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -166.77 107.93 0.66 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.789 0.328 . . . . 0.0 110.571 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.4 83.36 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.279 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.3 132.69 34.02 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.849 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 22.6 m -154.19 -175.37 5.36 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.35 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.85 119.27 9.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.348 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.52 -178.43 7.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.902 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -172.21 159.84 4.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 90' ' ' SER . . . . . 0.438 ' HB2' ' NE2' ' C' ' 73' ' ' GLN . 87.8 p -163.23 166.34 23.34 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.085 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.8 78.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.16 47.83 0.09 OUTLIER Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.74 118.22 33.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 110.73 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.2 123.95 29.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.667 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.88 33.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.274 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t 56.65 55.63 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.384 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.535 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.82 0.343 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -131.34 144.23 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -135.17 132.73 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.782 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.71 141.63 38.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.412 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.75 -52.54 1.9 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.032 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 45.9 t -133.29 128.07 34.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.761 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.41 79.64 1.17 Allowed Glycine 0 C--O 1.222 -0.604 0 C-N-CA 120.366 -0.921 . . . . 0.0 111.995 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 50' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' E' ' 49' ' ' GLY . 11.7 m-85 31.41 70.56 0.09 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.54 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.68 96.86 0.06 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.848 0.356 . . . . 0.0 110.574 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -163.82 168.21 19.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 93.2 p -153.42 157.08 39.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -126.23 131.58 51.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.454 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 50.9 m -140.9 24.1 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.612 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -71.32 149.95 45.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.628 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.86 131.05 42.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.52 152.76 6.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -174.2 132.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.735 0.302 . . . . 0.0 110.564 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.71 -21.78 7.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.01 126.77 8.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.337 . . . . 0.0 110.573 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -132.41 107.42 8.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -116.44 129.89 56.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.1 -161.79 0.48 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -52.16 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.722 0.296 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.5 -112.02 2.47 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.16 104.32 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.956 0.408 . . . . 0.0 110.391 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.32 140.49 33.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 69.6 m -106.74 125.64 51.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.4 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 71' ' ' THR . . . . . 0.414 HG22 ' HD2' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -84.27 173.35 7.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.875 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 72' ' ' PRO . . . . . 0.414 ' HD2' HG22 ' D' ' 71' ' ' THR . 78.5 Cg_exo -47.69 -178.66 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.916 2.41 . . . . 0.0 113.741 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 73' ' ' GLN . . . . . 0.439 ' NE2' ' HB2' ' D' ' 90' ' ' SER . 33.8 mt-30 -149.4 110.73 4.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.032 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.67 -79.96 0.35 Allowed Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.09 97.07 5.26 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.99 -87.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 43.4 t -151.96 171.54 17.65 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.257 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 66.5 p -127.91 147.78 50.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.476 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.09 87.7 0.3 Allowed Glycine 0 CA--C 1.528 0.869 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.439 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.18 147.4 4.82 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -91.21 56.07 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.673 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.77 -71.39 0.58 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.78 107.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.619 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.4 83.36 2.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.299 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.34 132.65 33.91 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.853 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 22.6 m -154.15 -175.41 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 111.373 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -145.87 119.31 9.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.263 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.51 -178.47 7.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -172.23 159.84 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 90' ' ' SER . . . . . 0.439 ' HB2' ' NE2' ' D' ' 73' ' ' GLN . 87.5 p -163.28 166.23 23.35 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.98 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.84 78.44 0.21 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.28 47.86 0.09 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.76 118.26 33.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.752 0.31 . . . . 0.0 110.755 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.18 123.95 29.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.681 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.91 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.298 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.54 55.65 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.432 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.626 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.805 0.336 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -131.36 144.22 51.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -135.16 132.87 38.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -138.41 141.82 39.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 47' ' ' THR . . . . . 0.401 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -123.21 -50.08 1.92 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.589 -0.844 . . . . 0.0 112.129 177.775 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 48' ' ' SER . . . . . 0.401 ' N ' HG22 ' E' ' 47' ' ' THR . 47.6 t -131.06 126.04 34.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.856 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 49' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' D' ' 50' ' ' TYR . . . 111.76 72.2 0.63 Allowed Glycine 0 C--O 1.217 -0.939 0 C-N-CA 117.78 -2.152 . . . . 0.0 113.576 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 50' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' E' ' 49' ' ' GLY . 12.7 m-85 31.29 75.45 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.37 0.605 . . . . 0.0 110.945 -177.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.08 92.9 0.4 Allowed Glycine 0 CA--C 1.518 0.247 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 69.7 96.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.906 0.384 . . . . 0.0 110.496 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -163.87 168.33 19.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.451 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 91.7 p -153.21 157.31 40.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.401 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -126.22 131.71 51.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.752 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.8 24.03 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -71.26 149.93 45.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.681 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.84 130.89 42.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.486 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 152.72 6.51 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.19 132.27 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.68 -21.79 7.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.06 126.67 8.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.557 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -132.21 106.97 8.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.0 129.95 56.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.91 -162.24 0.48 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.6 -52.84 20.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.693 0.282 . . . . 0.0 110.79 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.13 -112.04 2.41 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.15 104.14 12.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.901 0.381 . . . . 0.0 110.147 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -141.06 141.22 34.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 71.6 m -107.51 126.98 53.2 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.126 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 71' ' ' THR . . . . . 0.412 HG22 ' HD2' ' E' ' 72' ' ' PRO . 0.0 OUTLIER -85.22 173.26 7.31 Favored Pre-proline 0 C--N 1.328 -0.365 0 O-C-N 124.551 1.157 . . . . 0.0 109.495 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 72' ' ' PRO . . . . . 0.412 ' HD2' HG22 ' E' ' 71' ' ' THR . 77.6 Cg_exo -47.79 -179.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.505 2.193 0 C-N-CA 122.999 2.466 . . . . 0.0 113.538 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 73' ' ' GLN . . . . . 0.439 ' NE2' ' HB2' ' E' ' 90' ' ' SER . 33.9 mt-30 -148.73 114.12 5.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.608 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 74' ' ' GLY . . . . . 0.435 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 121.22 -81.33 0.34 Allowed Glycine 0 CA--C 1.543 1.814 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -177.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -121.83 95.48 4.68 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 122.755 -0.262 . . . . 0.0 110.31 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -44.97 -86.66 0.01 OUTLIER Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -152.42 171.52 17.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.013 0.435 . . . . 0.0 111.183 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 66.0 p -127.74 147.29 50.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.173 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -128.76 86.17 0.32 Allowed Glycine 0 CA--C 1.542 1.754 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.825 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.48 146.45 4.53 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -90.18 56.95 3.57 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.718 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -113.72 -70.52 0.53 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 48.1 t -167.21 107.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.591 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 6.3 p -121.22 82.53 1.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.215 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -136.99 132.11 33.86 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.803 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 21.4 m -154.08 -176.42 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 111.35 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.24 119.29 9.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.277 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.69 -179.25 8.01 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -170.27 160.39 7.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.781 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 90' ' ' SER . . . . . 0.439 ' HB2' ' NE2' ' E' ' 73' ' ' GLN . 89.9 p -162.75 167.04 23.56 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.205 177.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.68 77.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.318 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 47.97 0.09 OUTLIER Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -96.34 118.08 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.28 -0.168 . . . . 0.0 110.992 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.33 124.01 29.51 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.609 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.33 129.75 33.95 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.513 0.508 . . . . 0.0 110.017 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.69 55.66 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.502 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.573 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.819 0.342 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m -131.4 144.26 51.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 92.2 m -135.13 132.68 38.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.59 141.63 39.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.85 -52.36 1.89 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.035 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.49 127.67 33.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.753 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 49' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' E' ' 50' ' ' TYR . . . 108.66 80.02 1.19 Allowed Glycine 0 C--O 1.222 -0.618 0 C-N-CA 120.384 -0.913 . . . . 0.0 111.902 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 50' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' F' ' 49' ' ' GLY . 11.6 m-85 30.85 70.73 0.08 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.57 95.25 0.37 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.65 96.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.833 0.349 . . . . 0.0 110.597 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 77.8 p -163.71 168.19 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.467 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 93.5 p -153.39 157.09 39.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.536 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -126.21 131.52 51.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.464 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.25 149.99 45.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.632 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.89 130.9 42.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.6 152.74 6.44 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -174.17 132.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.731 0.301 . . . . 0.0 110.539 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.73 -21.75 7.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.1 126.87 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -132.52 107.29 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.04 130.3 56.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.42 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.49 -161.65 0.54 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -52.65 23.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.655 0.264 . . . . 0.0 110.765 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.97 -112.14 2.45 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.04 104.58 13.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.983 0.42 . . . . 0.0 110.19 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -141.39 140.46 33.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.748 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -106.74 125.67 51.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.329 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 71' ' ' THR . . . . . 0.414 HG22 ' HD2' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -84.29 173.31 7.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.896 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 72' ' ' PRO . . . . . 0.414 ' HD2' HG22 ' F' ' 71' ' ' THR . 78.0 Cg_exo -47.64 -178.6 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.992 2.462 . . . . 0.0 113.75 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 73' ' ' GLN . . . . . 0.44 ' NE2' ' HB2' ' F' ' 90' ' ' SER . 33.8 mt-30 -149.46 110.64 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.023 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.69 -80.07 0.35 Allowed Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.63 96.99 5.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.1 -87.06 0.01 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -152.0 171.48 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.208 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 65.2 p -127.97 147.86 50.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.21 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.12 87.75 0.3 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.359 -0.697 . . . . 0.0 111.359 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.12 147.41 4.82 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -91.17 55.98 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.401 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.71 -71.37 0.58 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.75 107.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 110.599 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.32 83.38 2.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.336 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.36 132.61 33.81 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.799 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 22.8 m -154.13 -175.37 5.36 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.378 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.4 t -145.87 119.32 9.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.275 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.55 -178.44 7.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.924 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 46.2 t -172.24 159.86 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.31 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 90' ' ' SER . . . . . 0.44 ' HB2' ' NE2' ' F' ' 73' ' ' GLN . 87.7 p -163.37 166.37 22.99 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.129 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.73 78.15 0.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.188 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.08 47.76 0.09 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.75 118.3 34.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.25 123.91 29.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.659 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.51 129.93 33.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.334 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.5 55.61 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.599 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.805 0.336 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -131.34 144.22 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.15 132.68 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -138.6 141.67 39.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.485 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.77 -52.37 1.9 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.109 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 45.9 t -133.47 127.99 34.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.73 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.41 79.73 1.18 Allowed Glycine 0 C--O 1.222 -0.601 0 C-N-CA 120.403 -0.903 . . . . 0.0 111.944 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.39 70.52 0.09 Allowed 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.52 95.29 0.37 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.67 96.84 0.06 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.801 0.334 . . . . 0.0 110.551 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -163.76 168.24 19.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.489 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -153.43 157.12 39.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.515 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -126.16 131.57 52.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.517 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.92 23.96 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.23 149.95 45.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.608 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.84 130.9 42.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.59 152.7 6.41 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.14 132.28 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.534 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 9.0 m -118.69 -21.88 7.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.96 126.82 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.613 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -132.36 107.34 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.661 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.14 129.97 56.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.22 -161.7 0.49 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.94 -52.4 24.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.3 . . . . 0.0 110.799 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.74 -112.15 2.47 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.06 104.57 13.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.953 0.406 . . . . 0.0 110.208 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.4 140.47 33.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.69 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 69.8 m -106.7 125.64 51.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.392 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 71' ' ' THR . . . . . 0.414 HG22 ' HD2' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -84.2 173.32 7.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.875 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 72' ' ' PRO . . . . . 0.414 ' HD2' HG22 ' G' ' 71' ' ' THR . 78.1 Cg_exo -47.75 -178.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.874 2.382 . . . . 0.0 113.766 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 73' ' ' GLN . . . . . 0.439 ' NE2' ' HB2' ' G' ' 90' ' ' SER . 33.9 mt-30 -149.48 110.65 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.023 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.82 -79.9 0.35 Allowed Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.16 97.02 5.23 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.04 -86.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.12 171.55 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.197 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 65.0 p -128.03 147.96 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.226 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.19 87.79 0.3 Allowed Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.14 147.38 4.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -91.19 56.01 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.939 0.4 . . . . 0.0 110.677 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.7 -71.4 0.58 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -166.76 107.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.39 83.31 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.359 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.26 132.55 33.93 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.857 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 22.7 m -154.06 -175.39 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 0.0 111.415 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.9 119.27 8.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.319 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.47 -178.49 7.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.923 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 46.0 t -172.13 159.91 5.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.744 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 90' ' ' SER . . . . . 0.439 ' HB2' ' NE2' ' G' ' 73' ' ' GLN . 87.8 p -163.34 166.32 23.12 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.129 179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.82 78.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.16 47.78 0.09 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.68 118.28 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 110.712 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.28 123.89 29.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.694 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.52 129.82 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.63 55.63 6.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.439 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.494 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.811 0.339 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.32 144.2 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.12 132.79 38.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.79 141.56 38.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.441 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.81 -52.28 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.086 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.45 127.89 34.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.741 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.48 79.68 1.17 Allowed Glycine 0 C--O 1.222 -0.627 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.003 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 31.35 70.52 0.09 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.51 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.65 96.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.79 0.329 . . . . 0.0 110.613 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -163.8 168.12 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.463 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.36 157.08 39.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.596 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.19 131.56 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.442 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.86 24.07 2.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -71.27 149.92 45.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.671 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.91 130.95 42.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.62 152.68 6.42 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.11 132.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 0.0 110.532 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.7 -21.8 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.05 126.84 8.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 110.562 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -132.43 107.36 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.636 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.15 130.12 56.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.35 -161.73 0.52 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.89 -52.42 24.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.681 0.277 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.78 -112.11 2.46 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.06 104.46 13.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.977 0.418 . . . . 0.0 110.223 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.23 140.53 33.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.678 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -106.83 125.62 51.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.291 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 71' ' ' THR . . . . . 0.413 HG22 ' HD2' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -84.2 173.24 7.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.885 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 72' ' ' PRO . . . . . 0.413 ' HD2' HG22 ' H' ' 71' ' ' THR . 78.3 Cg_exo -47.68 -178.54 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.918 2.412 . . . . 0.0 113.783 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 73' ' ' GLN . . . . . 0.438 ' NE2' ' HB2' ' H' ' 90' ' ' SER . 33.8 mt-30 -149.46 110.77 4.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.032 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.75 -79.96 0.35 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.94 97.02 5.25 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.122 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.14 -86.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.19 171.49 17.85 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.214 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 65.6 p -127.94 147.91 50.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.221 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.14 87.84 0.3 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.08 147.36 4.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -91.14 56.06 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.647 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.78 -71.38 0.58 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.75 107.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.41 83.37 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.285 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.29 132.58 33.91 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.854 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 22.7 m -154.16 -175.54 5.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 111.39 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 45.3 t -145.73 119.29 9.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.322 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.55 -178.48 7.37 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.894 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 46.0 t -172.14 159.89 5.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 0.0 110.789 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 90' ' ' SER . . . . . 0.438 ' HB2' ' NE2' ' H' ' 73' ' ' GLN . 88.1 p -163.31 166.27 23.23 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.104 179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.79 78.64 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.43 47.82 0.09 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.76 118.27 33.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 110.737 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.22 123.92 29.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.672 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.54 129.82 33.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.6 55.64 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.418 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.615 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.774 0.321 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.29 144.06 51.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.616 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -135.07 132.59 38.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.999 0.428 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -138.8 140.66 38.64 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.581 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.06 -52.62 1.97 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.161 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 45.2 t -133.21 128.31 35.64 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.733 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 108.34 79.59 1.17 Allowed Glycine 0 C--O 1.223 -0.589 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.954 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' I' ' 49' ' ' GLY . 11.4 m-85 31.08 72.11 0.07 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.7 95.31 0.46 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 68.6 96.49 0.06 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 110.577 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -163.4 168.3 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.482 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 92.9 p -153.43 157.1 39.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.494 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -126.21 131.5 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.514 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.601 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.2 149.92 45.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.645 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.97 130.8 42.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.431 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 152.6 6.42 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.01 132.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.526 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.62 -21.98 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.89 126.83 8.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -132.48 107.35 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.634 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -116.01 130.22 56.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.46 -161.64 0.53 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.02 -52.46 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.564 0.221 . . . . 0.0 110.692 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.87 -112.26 2.48 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 21.1 p -110.85 104.28 12.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.75 0.31 . . . . 0.0 110.194 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.27 140.57 33.91 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.549 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 69.4 m -106.63 126.15 51.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.282 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 71' ' ' THR . . . . . 0.408 HG22 ' HD2' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -84.54 173.23 7.52 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.69 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 72' ' ' PRO . . . . . 0.408 ' HD2' HG22 ' I' ' 71' ' ' THR . 76.3 Cg_exo -47.99 -178.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.998 2.465 . . . . 0.0 113.498 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 73' ' ' GLN . . . . . 0.434 ' NE2' ' HB2' ' I' ' 90' ' ' SER . 34.0 mt-30 -149.49 111.19 4.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.096 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.83 -79.75 0.35 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.84 96.93 5.21 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.8 -86.48 0.01 OUTLIER Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 44.4 t -152.36 171.57 17.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.136 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 62.9 p -127.71 148.41 50.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.21 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.41 88.03 0.3 Allowed Glycine 0 CA--C 1.527 0.803 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.417 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.88 147.59 4.86 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -91.22 56.66 3.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.923 0.392 . . . . 0.0 110.569 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -113.01 -71.35 0.57 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 48.2 t -166.82 108.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.729 0.299 . . . . 0.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.54 83.32 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.295 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -137.19 132.47 33.96 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.652 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 24.1 m -154.15 -176.2 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.971 0.415 . . . . 0.0 111.271 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.11 119.27 9.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.371 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.72 -179.13 7.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.867 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 45.8 t -171.44 160.03 5.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 90' ' ' SER . . . . . 0.434 ' HB2' ' NE2' ' I' ' 73' ' ' GLN . 90.1 p -163.3 166.19 23.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.17 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -166.85 80.11 0.22 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 47.81 0.08 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.85 118.22 33.91 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.707 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -131.32 123.95 29.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.57 129.96 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.314 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.59 55.52 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.457 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.557 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.748 0.309 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.71 118.16 14.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.596 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -120.08 132.33 55.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -149.93 126.29 10.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.5 m -53.93 -54.21 41.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.341 0.591 . . . . 0.0 110.038 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 7.9 p -132.31 -100.41 0.28 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.244 178.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.28 50.46 28.88 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.625 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.52 -166.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.515 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.47 -53.07 1.26 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.79 -82.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.402 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.64 127.3 40.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.906 0.384 . . . . 0.0 110.771 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.9 t -100.86 123.73 45.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.195 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -97.53 143.92 27.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 111.045 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.39 26.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.322 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.5 m -86.49 -178.84 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.959 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.53 44.17 21.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.91 -176.35 41.95 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -100.28 26.0 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.366 . . . . 0.0 110.368 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.3 137.04 42.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -94.01 103.9 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -93.89 101.39 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.367 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.5 m -112.67 132.28 55.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.84 -160.25 0.09 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 48' ' ' SER . 2.0 m-85 -47.28 -53.37 13.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.102 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.47 -108.93 2.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.0 p -109.66 102.74 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.079 0.466 . . . . 0.0 110.312 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -159.09 177.63 10.89 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.68 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.5 t -131.42 122.2 25.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.229 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.59 173.21 7.75 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.077 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.412 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 75.5 Cg_exo -45.42 171.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.651 2.234 . . . . 0.0 113.577 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' A' ' 72' ' ' PRO . 5.5 mp0 -147.27 112.01 5.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.596 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.1 95.36 0.43 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -178.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 66.42 69.13 0.43 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.484 0.659 . . . . 0.0 110.147 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.32 101.84 2.77 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.09 100.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.033 0.444 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.76 149.65 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.39 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.83 92.92 0.19 Allowed Glycine 0 CA--C 1.528 0.884 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.68 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.44 130.28 2.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -92.2 54.6 2.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 110.779 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.38 68.52 0.53 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.975 0.417 . . . . 0.0 110.871 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.74 88.79 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.145 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.73 122.27 32.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.583 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.4 m -149.79 -179.0 6.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.962 0.411 . . . . 0.0 111.089 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -149.26 143.3 25.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.88 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.27 -175.34 1.39 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.338 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -161.52 170.89 19.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.739 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.3 112.53 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.426 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -121.46 98.11 5.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.934 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.97 53.01 0.1 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.91 104.96 17.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.54 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.28 143.57 37.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.728 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.5 m -133.25 119.76 20.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.447 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.61 -163.18 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.619 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.588 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.676 0.274 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.53 118.21 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.758 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -120.13 132.63 55.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.2 126.18 10.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.245 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.08 -54.38 40.21 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.402 ' HB2' ' CZ ' ' B' ' 66' ' ' TYR . 7.0 p -132.09 -100.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.21 52.47 22.71 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.373 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.45 -166.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.738 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.83 -53.06 1.22 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.84 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.611 0.243 . . . . 0.0 110.362 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 78.7 p -129.57 127.35 40.52 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.794 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -100.83 123.61 45.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.212 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.37 143.83 27.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.125 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.45 26.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.363 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 60.1 m -86.54 -178.95 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.917 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.55 44.12 21.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.99 -176.3 42.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.3 25.98 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.335 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.29 136.89 42.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.726 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.86 103.88 15.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.587 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -94.0 101.32 13.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.395 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -112.37 132.5 54.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.11 -160.1 0.1 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' B' ' 48' ' ' SER . 2.0 m-85 -47.49 -53.26 14.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.599 0.238 . . . . 0.0 111.014 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.45 -109.11 2.92 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.514 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 27.0 p -109.32 102.49 11.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.683 0.278 . . . . 0.0 110.386 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.92 177.96 10.59 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.709 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.58 122.08 25.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.14 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 173.45 7.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.955 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' PRO . . . . . 0.429 ' O ' ' NE2' ' B' ' 73' ' ' GLN . 81.1 Cg_exo -45.32 173.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.793 2.328 . . . . 0.0 113.391 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' B' ' 72' ' ' PRO . 5.4 mp0 -148.86 111.49 4.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.817 -1.083 . . . . 0.0 108.586 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.62 95.37 0.47 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.68 68.83 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.141 0.496 . . . . 0.0 109.955 -178.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.33 101.07 2.69 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.14 99.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 110.718 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.76 150.28 47.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.599 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.22 92.99 0.18 Allowed Glycine 0 CA--C 1.527 0.802 0 C-N-CA 120.976 -0.631 . . . . 0.0 111.586 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.33 130.32 2.89 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -92.14 55.09 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.721 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.83 68.76 0.53 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.901 0.381 . . . . 0.0 110.861 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.75 88.9 2.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.124 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.76 122.22 32.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.54 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.65 -179.01 6.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.009 0.433 . . . . 0.0 111.108 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.23 143.19 25.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.847 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.26 -175.25 1.37 Allowed 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.582 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -161.48 170.81 19.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.718 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.17 112.57 4.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.527 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -121.74 98.93 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.34 53.33 0.11 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.99 104.88 16.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.562 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.29 143.61 37.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.749 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.34 119.76 20.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.494 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.72 -163.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.582 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 56.4 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.547 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.695 0.283 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.52 118.2 14.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.745 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -120.1 132.57 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.23 126.21 10.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.213 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -54.21 -54.26 42.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' SER . . . . . 0.403 ' HB2' ' CZ ' ' C' ' 66' ' ' TYR . 7.2 p -132.11 -100.4 0.28 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.08 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.33 52.48 23.2 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.333 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.28 -166.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.786 0.327 . . . . 0.0 110.796 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.93 -52.94 1.22 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.94 -82.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.642 0.258 . . . . 0.0 110.373 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 78.5 p -129.48 127.25 40.48 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.783 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 36.3 t -100.73 123.61 45.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.268 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.49 143.9 27.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 111.046 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.49 26.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.293 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -86.5 -178.89 6.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.44 44.18 21.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.05 -176.28 42.06 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -100.28 26.0 7.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.398 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 69.4 m -54.38 136.89 43.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.85 103.99 16.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.532 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -94.06 101.24 13.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.453 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -112.25 132.56 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.27 -160.0 0.1 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 66' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' C' ' 48' ' ' SER . 2.0 m-85 -47.57 -53.2 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.564 0.221 . . . . 0.0 110.994 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.42 -109.17 2.94 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.34 102.44 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.732 0.301 . . . . 0.0 110.366 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.87 178.03 10.52 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.682 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.6 122.05 25.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.166 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.18 173.52 7.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.965 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 72' ' ' PRO . . . . . 0.43 ' O ' ' NE2' ' C' ' 73' ' ' GLN . 80.6 Cg_exo -45.26 173.35 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.752 2.301 . . . . 0.0 113.381 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 73' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' C' ' 72' ' ' PRO . 5.4 mp0 -149.02 111.4 4.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.495 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.8 95.3 0.48 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.62 68.91 0.42 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.214 0.53 . . . . 0.0 109.993 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.31 101.03 2.68 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.19 99.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.059 0.457 . . . . 0.0 110.767 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.69 150.24 47.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.575 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.26 93.02 0.18 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.506 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.31 130.3 2.89 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -92.09 55.17 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.703 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.87 68.66 0.53 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.49 107.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.75 88.88 2.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.095 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.67 122.11 32.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.62 -178.96 6.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.24 143.22 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.917 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.25 -175.32 1.39 Allowed 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.628 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.44 170.8 19.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.71 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.12 112.65 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.464 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -121.85 99.06 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.43 53.34 0.11 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.95 104.93 16.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.708 0.29 . . . . 0.0 110.629 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.36 143.58 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.74 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 24.3 m -133.3 119.58 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.81 -163.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.615 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.774 0.321 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 44.6 t -136.48 118.31 15.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.789 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 91.9 m -120.26 132.52 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.15 126.25 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.208 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 17.5 m -54.24 -54.15 43.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.982 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 48' ' ' SER . . . . . 0.402 ' HB2' ' CZ ' ' D' ' 66' ' ' TYR . 6.7 p -132.31 -100.15 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.15 52.67 21.83 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.402 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.33 -166.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 110.625 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 -53.03 1.21 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.86 -82.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.599 0.237 . . . . 0.0 110.372 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 78.7 p -129.52 127.27 40.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.379 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.84 123.66 45.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.231 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -97.49 143.82 27.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.994 0.426 . . . . 0.0 111.086 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.35 26.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.272 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.9 m -86.53 -178.92 6.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.937 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.46 44.24 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.04 -176.23 42.06 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -100.4 25.99 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.301 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.31 136.85 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.84 103.92 16.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.52 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.01 101.26 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.447 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -112.4 132.46 55.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.962 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.0 -160.12 0.09 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' D' ' 48' ' ' SER . 2.0 m-85 -47.51 -53.01 15.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.569 0.224 . . . . 0.0 111.093 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.15 -109.01 2.93 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.41 102.23 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.712 0.291 . . . . 0.0 110.549 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.74 178.05 10.52 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.748 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 42.5 t -131.6 122.07 25.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.148 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.24 173.53 7.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.903 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 72' ' ' PRO . . . . . 0.43 ' O ' ' NE2' ' D' ' 73' ' ' GLN . 80.3 Cg_exo -45.26 173.36 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.699 2.266 . . . . 0.0 113.455 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 73' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' D' ' 72' ' ' PRO . 5.3 mp0 -149.03 111.39 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.483 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.74 95.28 0.48 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.57 69.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.195 0.522 . . . . 0.0 109.955 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.37 101.1 2.69 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.09 99.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.117 0.484 . . . . 0.0 110.854 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.64 150.22 47.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.725 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.25 93.02 0.18 Allowed Glycine 0 CA--C 1.527 0.799 0 C-N-CA 121.012 -0.614 . . . . 0.0 111.606 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.23 130.28 2.9 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -92.06 55.19 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.8 68.65 0.53 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.968 0.414 . . . . 0.0 110.855 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.72 88.92 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.124 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.7 122.16 32.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.644 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 72.3 m -149.69 -178.98 6.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.961 0.41 . . . . 0.0 111.094 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -149.2 143.19 25.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.913 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.28 -175.26 1.37 Allowed 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.651 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.5 170.74 19.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.729 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.1 112.55 4.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.474 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -121.93 99.0 6.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.38 53.45 0.11 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.97 104.75 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.749 0.309 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.28 143.55 37.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.742 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.21 119.67 20.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.77 -163.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.577 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.716 0.293 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -136.57 118.28 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.722 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -120.19 132.41 55.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -149.91 127.14 11.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.31 0.576 . . . . 0.0 110.207 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 16.6 m -56.08 -53.77 52.98 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.122 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 48' ' ' SER . . . . . 0.404 ' HB2' ' CZ ' ' E' ' 66' ' ' TYR . 7.4 p -130.56 -100.16 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.696 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 51.22 48.92 45.9 Favored Glycine 0 C--N 1.341 0.832 0 C-N-CA 119.739 -1.22 . . . . 0.0 111.806 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.49 -166.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.16 0.505 . . . . 0.0 110.3 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.64 -52.76 1.18 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -162.63 -84.42 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -128.51 127.52 42.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.895 0.378 . . . . 0.0 110.482 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 33.7 t -101.74 123.69 46.13 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.091 0.472 . . . . 0.0 109.867 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.5 143.91 27.73 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.49 26.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.276 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 60.1 m -86.56 -179.02 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.939 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.65 44.13 21.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.04 -176.26 42.05 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.33 25.92 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.365 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 69.5 m -54.16 136.87 41.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.731 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.86 103.89 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.07 101.33 13.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.413 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -112.36 132.43 55.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.721 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.3 -161.89 0.11 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 66' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' E' ' 48' ' ' SER . 2.0 m-85 -46.39 -53.87 10.17 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 120.659 0.266 . . . . 0.0 110.778 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.7 -109.06 2.88 Favored Glycine 0 N--CA 1.466 0.651 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 27.3 p -109.71 102.4 11.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.985 0.462 . . . . 0.0 110.083 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.91 178.13 10.41 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.734 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 41.8 t -131.98 122.93 26.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 118.822 -0.608 . . . . 0.0 110.148 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.19 173.54 7.14 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 125.23 1.582 . . . . 0.0 109.325 -178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 72' ' ' PRO . . . . . 0.421 ' O ' ' NE2' ' E' ' 73' ' ' GLN . 83.0 Cg_exo -45.57 173.59 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.681 2.254 . . . . 0.0 113.27 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 73' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' E' ' 72' ' ' PRO . 5.2 mp0 -148.74 114.15 5.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.627 -1.17 . . . . 0.0 107.913 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.19 95.16 0.37 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 67.51 67.57 0.38 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.499 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.36 104.51 3.05 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 119.729 -1.224 . . . . 0.0 110.101 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.99 101.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.467 0.651 . . . . 0.0 110.589 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.39 149.89 49.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.427 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.46 91.2 0.18 Allowed Glycine 0 CA--C 1.536 1.401 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.754 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.83 129.44 2.78 Favored Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -90.42 55.44 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.976 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.54 68.83 0.52 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.9 108.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.96 0.41 . . . . 0.0 110.662 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.9 87.94 2.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.067 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.37 121.25 30.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.519 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 72.6 m -149.28 -179.1 6.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.059 0.457 . . . . 0.0 111.084 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.13 143.18 25.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.886 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.32 -175.19 1.35 Allowed 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.536 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.02 171.32 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.731 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.32 112.54 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.782 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -121.14 98.21 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.9 52.72 0.1 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -96.12 104.77 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.649 0.262 . . . . 0.0 110.742 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.31 143.51 37.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.741 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 23.9 m -133.04 119.47 20.09 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.264 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.84 -163.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 56.2 t80 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.555 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.721 0.296 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.5 118.11 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.709 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 92.3 m -120.02 132.72 55.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.763 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -150.33 126.23 10.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.292 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.19 -54.52 38.74 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.896 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 48' ' ' SER . . . . . 0.4 ' HB2' ' CZ ' ' F' ' 66' ' ' TYR . 6.8 p -131.96 -100.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.28 52.54 22.82 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.332 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.26 -166.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.94 -52.98 1.22 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.97 -82.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.6 127.38 40.52 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.818 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.94 123.65 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.189 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.36 143.92 27.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.46 26.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.333 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.8 m -86.5 -178.94 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.52 44.17 21.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.03 -176.26 42.04 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.33 26.02 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.403 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 69.7 m -54.35 136.98 42.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.94 104.02 16.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.16 101.24 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.417 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -112.17 132.67 54.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.28 -159.88 0.1 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 66' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' F' ' 48' ' ' SER . 2.0 m-85 -47.48 -53.51 14.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.62 0.248 . . . . 0.0 110.969 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.61 -109.28 2.93 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.23 102.67 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.704 0.287 . . . . 0.0 110.354 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.97 178.12 10.41 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.039 -0.665 . . . . 0.0 111.74 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -131.69 122.0 25.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.128 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.23 173.57 7.3 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.965 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 72' ' ' PRO . . . . . 0.428 ' O ' ' NE2' ' F' ' 73' ' ' GLN . 81.4 Cg_exo -45.32 173.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.754 2.303 . . . . 0.0 113.377 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 73' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' F' ' 72' ' ' PRO . 5.4 mp0 -149.07 111.3 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.779 -1.101 . . . . 0.0 108.49 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.83 95.38 0.48 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.81 68.59 0.41 Allowed 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 121.168 0.509 . . . . 0.0 109.972 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.14 101.09 2.68 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.08 99.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 110.774 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.59 150.28 47.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.625 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.23 93.06 0.18 Allowed Glycine 0 CA--C 1.527 0.842 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.603 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.31 130.3 2.89 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -92.12 55.23 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.956 0.408 . . . . 0.0 110.667 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.91 68.64 0.53 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.45 107.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.928 0.394 . . . . 0.0 110.913 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.77 88.84 2.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.173 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.73 122.14 32.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.65 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 71.8 m -149.53 -178.9 6.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.954 0.406 . . . . 0.0 111.081 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -149.27 143.21 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.861 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.23 -175.14 1.36 Allowed 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 120.311 -0.555 . . . . 0.0 111.624 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.64 170.83 19.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.16 112.5 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.526 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.66 99.04 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.31 53.48 0.11 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.03 104.82 16.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.735 0.303 . . . . 0.0 110.613 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.27 143.58 38.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.722 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 23.9 m -133.24 119.66 20.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.597 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.68 -163.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.605 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.592 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.745 0.307 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 44.6 t -136.57 118.2 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.727 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -120.14 132.59 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.788 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -150.16 126.15 10.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.269 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -54.16 -54.34 41.0 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.955 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 48' ' ' SER . . . . . 0.401 ' HB2' ' CZ ' ' G' ' 66' ' ' TYR . 6.9 p -132.08 -100.21 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.11 52.61 21.86 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.393 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.31 -166.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 -53.08 1.2 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.88 -82.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.612 0.244 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.51 127.4 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -100.91 123.59 45.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.228 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -97.48 143.89 27.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.991 0.424 . . . . 0.0 111.047 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.39 26.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.341 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 60.2 m -86.45 -178.97 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.953 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.6 44.05 21.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.871 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.06 -176.33 42.05 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.3 26.02 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.376 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -54.33 137.03 42.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.722 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.96 103.86 15.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.572 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.03 101.29 13.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.466 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -112.28 132.66 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.23 -160.03 0.1 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 66' ' ' TYR . . . . . 0.401 ' CZ ' ' HB2' ' G' ' 48' ' ' SER . 2.0 m-85 -47.47 -53.3 14.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.571 0.224 . . . . 0.0 111.05 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.42 -109.07 2.91 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -109.41 102.54 11.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.31 . . . . 0.0 110.332 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.92 178.15 10.39 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.745 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 42.4 t -131.71 121.98 25.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.077 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 173.53 7.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 72' ' ' PRO . . . . . 0.428 ' O ' ' NE2' ' G' ' 73' ' ' GLN . 82.5 Cg_exo -45.34 173.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.829 2.353 . . . . 0.0 113.348 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 73' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' G' ' 72' ' ' PRO . 5.3 mp0 -149.01 111.4 4.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.45 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.75 95.39 0.48 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.59 68.88 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.23 0.538 . . . . 0.0 109.962 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.25 101.18 2.7 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.1 99.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.036 0.446 . . . . 0.0 110.779 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.76 150.27 47.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.627 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.21 92.96 0.18 Allowed Glycine 0 CA--C 1.529 0.918 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.536 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.34 130.44 2.9 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -92.21 55.25 2.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.407 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.9 68.66 0.53 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.47 107.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.964 0.411 . . . . 0.0 110.895 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.71 88.92 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.139 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.7 122.07 31.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.675 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.57 -178.89 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.411 . . . . 0.0 111.132 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -149.27 143.16 25.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.854 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.12 -175.16 1.39 Allowed 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.627 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -161.55 170.75 19.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.751 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.11 112.68 4.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.87 99.0 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.36 53.43 0.11 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.97 104.79 16.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.578 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.26 143.6 38.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.761 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 24.6 m -133.3 119.7 20.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.503 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.7 -163.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.518 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.639 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.747 0.308 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.49 118.26 15.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.714 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 92.2 m -120.19 132.61 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.782 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.24 126.27 10.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.243 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.29 -54.32 41.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.949 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 48' ' ' SER . . . . . 0.402 ' HB2' ' CZ ' ' H' ' 66' ' ' TYR . 6.9 p -132.01 -100.33 0.29 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.26 52.48 22.91 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.376 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.34 -166.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.78 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.03 -53.11 1.2 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.89 -82.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.617 0.246 . . . . 0.0 110.362 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.49 127.4 40.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.85 123.6 45.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.218 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -97.45 143.9 27.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.4 26.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.301 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 60.5 m -86.45 -179.03 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.935 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.65 44.11 21.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.98 -176.28 42.01 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.26 25.95 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.419 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -54.2 136.92 42.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.9 103.88 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.03 101.27 13.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.422 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.5 m -112.28 132.62 54.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.784 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.16 -159.93 0.1 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' H' ' 48' ' ' SER . 2.0 m-85 -47.62 -53.27 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.518 0.199 . . . . 0.0 110.999 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.45 -109.22 2.94 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.492 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 27.0 p -109.36 102.56 11.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.739 0.304 . . . . 0.0 110.393 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.86 178.08 10.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.75 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.67 122.06 25.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.145 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.26 173.48 7.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.958 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 72' ' ' PRO . . . . . 0.429 ' O ' ' NE2' ' H' ' 73' ' ' GLN . 81.7 Cg_exo -45.28 173.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.722 2.281 . . . . 0.0 113.372 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 73' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' H' ' 72' ' ' PRO . 5.4 mp0 -149.03 111.39 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.544 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.79 95.36 0.48 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.62 68.91 0.42 Allowed 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 121.235 0.541 . . . . 0.0 109.945 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.38 101.1 2.69 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.19 99.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.008 0.433 . . . . 0.0 110.729 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.56 150.35 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.661 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.3 93.04 0.18 Allowed Glycine 0 CA--C 1.528 0.845 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.575 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.3 130.39 2.9 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -92.07 55.27 2.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.937 0.398 . . . . 0.0 110.752 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.92 68.7 0.53 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.49 107.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.0 110.867 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.76 88.92 2.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.068 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.75 122.09 31.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.53 -178.98 6.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.024 0.44 . . . . 0.0 111.159 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -149.18 143.12 25.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.859 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.16 -175.23 1.4 Allowed 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.649 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.7 p -161.52 170.69 19.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.704 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.03 112.61 4.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.554 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.91 99.17 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.21 53.53 0.11 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.0 104.78 16.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 110.573 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.26 143.61 38.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.713 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 24.3 m -133.31 119.69 20.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.491 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.64 -163.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 56.3 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.552 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.698 0.285 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.41 118.68 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.714 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 90.8 m -120.75 132.67 55.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.51 . . . . 0.0 110.697 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.2 127.07 11.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.25 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -55.35 -54.14 47.33 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.805 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 48' ' ' SER . . . . . 0.401 ' HB2' ' CZ ' ' I' ' 66' ' ' TYR . 6.2 p -132.03 -99.21 0.3 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.37 52.7 18.09 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.403 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.55 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.892 0.377 . . . . 0.0 110.731 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.66 -53.25 1.14 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.66 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.605 0.241 . . . . 0.0 110.411 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.54 127.71 41.3 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.643 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 35.9 t -101.09 123.64 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.229 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.53 143.84 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 111.095 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.35 26.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.32 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -86.5 -179.04 6.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.907 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 57.68 44.16 21.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.0 -176.27 42.03 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.28 25.94 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.416 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 69.9 m -54.3 137.0 42.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.736 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.91 103.93 16.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -94.19 101.24 13.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.379 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -112.11 132.89 54.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.757 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.48 -159.83 0.11 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 66' ' ' TYR . . . . . 0.401 ' CZ ' ' HB2' ' I' ' 48' ' ' SER . 2.1 m-85 -47.8 -53.13 16.39 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.881 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.51 -109.43 2.98 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.442 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 27.6 p -109.25 102.52 11.45 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.99 178.16 10.37 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.407 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -131.56 122.57 26.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.997 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.47 173.39 7.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.771 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 72' ' ' PRO . . . . . 0.427 ' O ' ' NE2' ' I' ' 73' ' ' GLN . 84.4 Cg_exo -45.51 173.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.71 2.273 . . . . 0.0 113.263 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 73' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' I' ' 72' ' ' PRO . 5.4 mp0 -149.16 111.71 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.545 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.65 95.61 0.47 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.58 68.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 109.972 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.84 101.49 2.71 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.86 99.55 0.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 110.602 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.15 150.95 44.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.55 93.14 0.18 Allowed Glycine 0 CA--C 1.528 0.856 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.499 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.18 130.51 2.92 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -92.19 55.75 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.854 0.359 . . . . 0.0 110.593 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.19 68.74 0.52 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.47 107.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 110.862 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.83 88.81 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.112 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.57 122.11 32.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 71.9 m -149.57 -179.3 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.99 0.424 . . . . 0.0 111.193 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -148.94 143.18 26.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.911 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.35 -175.57 1.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.559 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.3 p -161.13 170.8 19.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.8 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.88 112.61 4.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.486 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -122.11 99.74 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.134 0.493 . . . . 0.0 110.748 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.78 53.93 0.11 Allowed Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.344 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.0 104.73 16.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.698 0.285 . . . . 0.0 110.639 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.35 143.58 37.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.79 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.34 119.74 20.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.67 -163.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.532 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.593 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.799 0.333 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.6 t -67.19 137.67 56.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.409 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.2 m -120.39 130.54 54.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.969 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -146.38 124.08 11.86 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.801 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.76 -52.01 16.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 111.439 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -132.47 -179.49 5.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.693 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.03 69.2 1.42 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 31.81 71.03 0.09 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.104 0.532 . . . . 0.0 112.199 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.33 95.16 0.35 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.76 88.82 0.11 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.57 149.31 25.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.46 137.47 42.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.19 105.21 14.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.442 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.4 m -119.85 23.43 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.27 151.63 45.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.68 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -111.2 133.61 53.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.569 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.37 93.48 0.17 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -138.87 146.4 41.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.469 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.3 144.75 46.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.11 58.53 5.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.41 132.46 39.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.448 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.5 m -133.75 134.87 43.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.014 0.435 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 -160.56 0.71 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.36 -62.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.4 . . . . 0.0 111.178 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -94.53 0.9 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 96' ' ' SER . 20.6 p -116.33 112.09 21.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.168 0.508 . . . . 0.0 110.552 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -161.6 133.26 5.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.547 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.2 m -106.88 125.01 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.745 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -82.94 173.49 7.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.94 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' A' ' 71' ' ' THR . 61.7 Cg_exo -49.7 -179.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.744 2.296 . . . . 0.0 113.485 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.454 ' H ' ' H ' ' B' ' 74' ' ' GLY . 1.3 tp60 -144.64 111.61 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.207 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.66 -83.5 0.33 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -103.3 -53.24 2.85 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.599 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.84 120.08 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.63 89.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.746 0.308 . . . . 0.0 110.22 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.488 HG21 ' CE2' ' B' ' 75' ' ' TYR . 0.2 OUTLIER -75.69 101.57 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.138 0.494 . . . . 0.0 110.841 -179.613 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.53 -149.55 12.13 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.03 72.88 0.4 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.54 141.44 25.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.15 -47.83 0.7 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.11 133.18 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.6 t -136.19 96.88 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.213 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.96 98.66 6.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.333 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 t -144.5 165.1 28.93 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.475 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.2 m -142.34 116.67 9.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.362 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.58 -177.35 4.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 111.176 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.45 174.95 5.7 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.576 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -147.07 147.31 30.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.158 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -107.38 -76.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.131 0.491 . . . . 0.0 111.213 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.52 67.52 0.96 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.47 116.56 29.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.539 0.209 . . . . 0.0 110.546 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.08 157.27 7.71 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.445 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.3 m -114.51 135.01 54.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.348 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.452 ' HB2' HG22 ' A' ' 68' ' ' THR . 7.9 t 59.96 -164.58 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.53 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.522 -179.926 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.955 0.407 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 26.1 t -67.06 137.68 56.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.512 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.3 m -120.29 130.66 54.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.062 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.44 124.07 11.81 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.157 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.89 -52.43 14.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 111.425 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -132.1 -178.94 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.793 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.39 70.48 1.24 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.34 71.63 0.07 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.85 95.22 0.39 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.8 88.53 0.11 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.931 0.396 . . . . 0.0 110.118 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.49 149.2 25.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.631 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.44 137.42 42.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -110.15 105.22 14.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 67.5 m -119.92 23.48 11.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.2 m -70.25 151.72 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.721 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -111.3 133.74 53.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.512 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.17 93.71 0.16 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.05 146.42 40.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.73 0.3 . . . . 0.0 110.407 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -135.3 144.73 46.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.05 58.58 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.39 132.4 39.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.487 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 52.7 m -133.52 134.93 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.82 -160.48 0.73 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.57 -62.47 1.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 111.028 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.66 -94.52 0.9 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.452 HG22 ' HB2' ' B' ' 96' ' ' SER . 21.2 p -116.16 112.15 21.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.888 0.375 . . . . 0.0 110.521 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.47 HE22 HG23 ' B' ' 71' ' ' THR . 6.9 tm0? -161.59 133.12 5.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.541 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -106.52 124.91 50.32 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -82.48 173.83 6.99 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.819 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' B' ' 71' ' ' THR . 70.0 Cg_exo -49.39 -177.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.782 2.321 . . . . 0.0 113.452 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.463 ' H ' ' H ' ' C' ' 74' ' ' GLY . 1.4 tp60 -147.07 110.6 4.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.118 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' GLY . . . . . 0.454 ' H ' ' H ' ' A' ' 73' ' ' GLN . . . 129.65 -83.52 0.32 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.488 ' CE2' HG21 ' A' ' 78' ' ' THR . 1.9 m-85 -102.7 -53.35 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.698 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.98 120.58 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.25 89.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.733 0.301 . . . . 0.0 110.226 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.487 HG21 ' CE2' ' C' ' 75' ' ' TYR . 0.2 OUTLIER -75.36 101.5 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.857 -179.607 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.67 -149.03 11.83 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.97 72.95 0.39 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.57 141.6 25.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.102 0.477 . . . . 0.0 111.343 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.13 -47.64 0.71 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.14 133.27 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.738 0.304 . . . . 0.0 110.501 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -136.3 96.91 3.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.163 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.95 98.38 6.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.366 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.05 165.14 28.61 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.506 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 64.7 m -142.39 116.61 9.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.403 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.63 -177.42 4.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.005 0.431 . . . . 0.0 111.239 -178.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 79.2 p -169.41 174.98 5.71 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.694 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.98 147.21 30.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.31 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -107.76 -76.81 0.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.075 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.4 67.94 0.96 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.36 116.34 29.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.547 0.213 . . . . 0.0 110.639 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.13 157.0 7.47 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.523 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.9 m -114.19 135.17 54.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.42 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' SER . . . . . 0.452 ' HB2' HG22 ' B' ' 68' ' ' THR . 7.9 t 59.98 -164.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.611 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.908 0.385 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -66.96 137.73 56.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.522 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -120.33 130.55 54.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.025 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -146.37 124.06 11.86 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.233 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.98 -52.41 14.59 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.404 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.06 -178.72 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.872 0.367 . . . . 0.0 110.744 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.23 70.58 1.23 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 30.27 71.72 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.92 95.18 0.39 Allowed Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.96 88.53 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.013 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -155.56 149.17 25.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 42.3 t -135.34 137.46 42.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.18 105.22 14.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 67.6 m -119.9 23.52 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.796 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.2 151.63 45.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.723 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -111.22 133.74 53.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.544 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.25 93.72 0.16 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.14 146.32 40.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 110.395 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -135.26 144.77 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.12 58.5 5.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.4 132.45 39.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.479 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 52.8 m -133.61 134.97 43.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -160.42 0.75 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -62.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.646 0.26 . . . . 0.0 110.995 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.75 -94.64 0.9 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.452 HG22 ' HB2' ' C' ' 96' ' ' SER . 21.1 p -116.15 112.22 21.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.496 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 69' ' ' GLN . . . . . 0.472 HE22 HG23 ' C' ' 71' ' ' THR . 6.9 tm0? -161.61 133.2 5.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.494 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -106.53 124.92 50.33 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.492 HG22 ' CD ' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -82.53 173.98 6.76 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.829 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 72' ' ' PRO . . . . . 0.492 ' CD ' HG22 ' C' ' 71' ' ' THR . 72.9 Cg_exo -49.46 -177.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.843 2.362 . . . . 0.0 113.378 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 73' ' ' GLN . . . . . 0.461 ' H ' ' H ' ' D' ' 74' ' ' GLY . 1.4 tp60 -147.18 110.62 4.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.074 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 74' ' ' GLY . . . . . 0.463 ' H ' ' H ' ' B' ' 73' ' ' GLN . . . 129.64 -83.54 0.32 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 75' ' ' TYR . . . . . 0.487 ' CE2' HG21 ' B' ' 78' ' ' THR . 1.9 m-85 -102.77 -53.26 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.675 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.98 120.52 0.01 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.38 89.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.483 HG21 ' CE2' ' D' ' 75' ' ' TYR . 0.2 OUTLIER -75.47 101.59 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.557 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.7 -149.06 11.83 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.01 72.92 0.4 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.51 141.65 24.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.121 0.486 . . . . 0.0 111.32 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.09 -47.62 0.71 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.09 133.21 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.746 0.307 . . . . 0.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.0 t -136.28 96.9 3.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.218 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.93 98.32 6.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.437 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.03 165.13 28.64 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.499 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 64.9 m -142.33 116.56 9.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.378 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.38 4.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.945 0.402 . . . . 0.0 111.275 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.3 p -169.42 174.96 5.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -146.96 147.21 30.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.265 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.79 -76.95 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.114 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.25 67.99 0.99 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.38 116.33 29.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.592 0.234 . . . . 0.0 110.636 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.07 156.98 7.52 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.533 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -114.2 135.04 54.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.523 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 96' ' ' SER . . . . . 0.452 ' HB2' HG22 ' C' ' 68' ' ' THR . 7.9 t 60.11 -164.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.456 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.591 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.908 0.385 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 25.8 t -67.03 137.8 56.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.533 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -120.47 130.31 54.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.149 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.18 124.2 12.09 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.177 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.13 -52.3 14.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.878 0.37 . . . . 0.0 111.373 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.13 -178.83 5.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.915 0.388 . . . . 0.0 110.807 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.26 70.63 1.22 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.25 71.87 0.06 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.96 95.24 0.4 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.86 88.6 0.11 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.07 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.63 149.2 25.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.4 137.43 42.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -110.16 105.15 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.509 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 68.1 m -119.82 23.52 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.759 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.24 151.67 45.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.727 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -111.19 133.77 53.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.17 93.77 0.16 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -139.16 146.29 40.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.673 0.273 . . . . 0.0 110.455 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 70.7 m -135.28 144.75 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.779 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.24 58.39 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.38 132.57 39.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.377 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 51.9 m -133.99 134.84 42.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.038 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.73 -160.4 0.7 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -62.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.649 0.261 . . . . 0.0 111.024 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.36 -94.53 0.91 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 68' ' ' THR . . . . . 0.45 HG22 ' HB2' ' D' ' 96' ' ' SER . 21.1 p -116.11 112.25 21.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.348 . . . . 0.0 110.695 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 69' ' ' GLN . . . . . 0.47 HE22 HG23 ' D' ' 71' ' ' THR . 6.9 tm0? -161.76 133.08 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.509 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -106.56 124.84 50.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.801 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 71' ' ' THR . . . . . 0.491 HG22 ' CD ' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -82.53 173.95 6.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.874 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 72' ' ' PRO . . . . . 0.491 ' CD ' HG22 ' D' ' 71' ' ' THR . 70.4 Cg_exo -49.45 -177.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.798 2.332 . . . . 0.0 113.451 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 73' ' ' GLN . . . . . 0.489 ' H ' ' H ' ' E' ' 74' ' ' GLY . 1.3 tp60 -147.13 110.56 4.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.125 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 74' ' ' GLY . . . . . 0.461 ' H ' ' H ' ' C' ' 73' ' ' GLN . . . 129.62 -83.49 0.32 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 75' ' ' TYR . . . . . 0.483 ' CE2' HG21 ' C' ' 78' ' ' THR . 1.9 m-85 -102.71 -53.42 2.87 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.672 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.15 120.64 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.35 89.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.326 . . . . 0.0 110.231 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 78' ' ' THR . . . . . 0.486 HG21 ' CE2' ' E' ' 75' ' ' TYR . 0.2 OUTLIER -75.22 101.35 4.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.981 -179.477 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.67 -149.04 11.84 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.9 73.06 0.38 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.56 141.63 24.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.096 0.474 . . . . 0.0 111.307 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.08 -47.48 0.72 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.01 133.3 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -136.29 96.89 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.183 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.96 98.38 6.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.406 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.11 165.08 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.559 -0.457 . . . . 0.0 111.435 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 64.4 m -142.34 116.6 9.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.351 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.54 -177.16 4.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.903 0.382 . . . . 0.0 111.261 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 78.9 p -169.56 174.87 5.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.679 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -146.89 147.07 30.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.272 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.75 -76.63 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.25 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.51 68.07 0.94 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.37 116.2 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.533 0.206 . . . . 0.0 110.699 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.01 156.98 7.6 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.496 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.18 135.12 54.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.459 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 96' ' ' SER . . . . . 0.45 ' HB2' HG22 ' D' ' 68' ' ' THR . 7.9 t 59.92 -164.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.467 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.615 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.955 0.407 . . . . 0.0 110.641 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 25.9 t -67.07 137.82 56.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.467 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -120.41 130.61 54.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.028 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -146.59 125.04 12.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 111.408 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -76.63 -49.18 16.85 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 119.248 -0.981 . . . . 0.0 111.559 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 7.7 t -130.81 -179.04 5.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.849 0.356 . . . . 0.0 111.284 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 49' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 75.0 70.88 1.2 Allowed Glycine 0 C--O 1.222 -0.625 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 50' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' E' ' 49' ' ' GLY . 12.1 m-85 26.87 76.44 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.281 0.632 . . . . 0.0 111.151 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.5 92.87 0.44 Allowed Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 68.78 88.77 0.11 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.95 0.405 . . . . 0.0 109.991 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.56 149.27 25.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.561 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.36 137.55 42.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.548 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -110.25 105.23 14.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.504 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 67.8 m -119.89 23.56 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -70.28 151.67 45.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.674 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.19 133.77 53.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.534 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.22 93.63 0.16 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -138.98 146.36 40.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.7 0.286 . . . . 0.0 110.453 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -135.35 144.77 46.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.742 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 48.83 59.1 4.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.72 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.88 132.63 39.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.306 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -133.73 134.92 43.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.18 -161.91 0.72 Allowed Glycine 0 CA--C 1.524 0.609 0 O-C-N 124.389 1.056 . . . . 0.0 110.641 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -45.79 -62.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.686 0.279 . . . . 0.0 111.104 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.94 -94.73 0.9 Allowed Glycine 0 N--CA 1.462 0.409 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 68' ' ' THR . . . . . 0.448 HG22 ' HB2' ' E' ' 96' ' ' SER . 21.2 p -116.21 111.94 20.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.675 0.867 . . . . 0.0 110.337 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 69' ' ' GLN . . . . . 0.472 HE22 HG23 ' E' ' 71' ' ' THR . 6.7 tm0? -161.36 134.24 6.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.272 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 70.7 m -107.55 126.66 52.81 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.41 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 71' ' ' THR . . . . . 0.489 HG22 ' CD ' ' E' ' 72' ' ' PRO . 0.0 OUTLIER -83.7 173.9 6.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 O-C-N 124.202 0.939 . . . . 0.0 109.511 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 72' ' ' PRO . . . . . 0.489 ' CD ' HG22 ' E' ' 71' ' ' THR . 66.3 Cg_exo -49.17 -178.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 123.133 2.555 . . . . 0.0 113.353 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 73' ' ' GLN . . . . . 0.469 ' H ' ' H ' ' F' ' 74' ' ' GLY . 1.5 tp60 -145.9 114.1 6.62 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.857 -1.065 . . . . 0.0 108.494 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 74' ' ' GLY . . . . . 0.489 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 127.3 -84.8 0.33 Allowed Glycine 0 CA--C 1.535 1.286 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 75' ' ' TYR . . . . . 0.486 ' CE2' HG21 ' D' ' 78' ' ' THR . 1.9 m-85 -102.23 -52.39 3.15 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.812 0.306 . . . . 0.0 110.904 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.52 120.99 0.01 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 2.5 t 48.17 91.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 78' ' ' THR . . . . . 0.482 HG21 ' CE2' ' F' ' 75' ' ' TYR . 0.2 OUTLIER -76.45 102.51 6.03 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.611 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.2 -148.78 11.37 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.85 72.82 0.41 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.82 140.86 28.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.256 0.551 . . . . 0.0 111.186 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.56 -44.61 0.82 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 168.8 133.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.851 0.358 . . . . 0.0 110.398 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 14.0 t -136.4 96.35 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.368 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.43 97.2 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.609 0.568 . . . . 0.0 110.286 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -143.45 164.95 28.88 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.441 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 64.8 m -142.32 116.69 9.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.437 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.95 -177.58 5.05 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.131 -178.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 79.6 p -169.16 175.46 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.603 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -147.15 147.15 30.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.326 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -107.53 -76.59 0.61 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.376 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.37 67.45 0.99 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -96.21 115.8 28.0 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.0 -0.118 . . . . 0.0 110.936 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -168.56 157.2 8.55 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.56 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -114.16 134.88 54.6 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.146 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 96' ' ' SER . . . . . 0.448 ' HB2' HG22 ' E' ' 68' ' ' THR . 7.9 t 60.34 -164.54 0.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.621 1.201 . . . . 0.0 110.416 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.55 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.46 0.048 0 CA-C-O 120.962 0.411 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 26.2 t -66.98 137.73 56.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.553 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -120.31 130.7 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.04 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -146.56 124.19 11.81 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.25 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.89 -52.59 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.396 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.01 -178.97 5.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.936 0.398 . . . . 0.0 110.787 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.36 70.79 1.2 Allowed Glycine 0 C--O 1.224 -0.52 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 29.97 71.81 0.06 Allowed 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.98 95.07 0.39 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.98 88.53 0.11 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.885 0.374 . . . . 0.0 110.057 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.52 149.23 25.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 42.3 t -135.47 137.42 42.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -110.14 105.13 14.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -119.8 23.48 11.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 75.5 m -70.32 151.71 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.65 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.29 133.72 53.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.474 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.29 93.62 0.16 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.07 146.41 40.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 110.377 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.34 144.73 46.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.758 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.17 58.54 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.54 132.41 39.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.42 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 53.6 m -133.44 135.23 44.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.99 -160.38 0.77 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.62 -62.7 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.663 0.268 . . . . 0.0 110.886 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.85 -94.74 0.91 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 68' ' ' THR . . . . . 0.447 HG22 ' HB2' ' F' ' 96' ' ' SER . 21.2 p -115.92 112.35 21.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 110.453 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 69' ' ' GLN . . . . . 0.471 HE22 HG23 ' F' ' 71' ' ' THR . 6.9 tm0? -161.71 133.18 5.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.466 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -106.55 124.79 50.14 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.813 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -82.45 173.88 6.91 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.855 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' F' ' 71' ' ' THR . 70.8 Cg_exo -49.4 -177.39 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.798 2.332 . . . . 0.0 113.465 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 73' ' ' GLN . . . . . 0.468 ' H ' ' H ' ' G' ' 74' ' ' GLY . 1.3 tp60 -147.16 110.46 4.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.139 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 74' ' ' GLY . . . . . 0.469 ' H ' ' H ' ' E' ' 73' ' ' GLN . . . 129.68 -83.53 0.32 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -179.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 75' ' ' TYR . . . . . 0.482 ' CE2' HG21 ' E' ' 78' ' ' THR . 1.9 m-85 -102.53 -53.41 2.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.697 0.284 . . . . 0.0 110.667 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.1 120.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.11 89.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.803 0.335 . . . . 0.0 110.339 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 78' ' ' THR . . . . . 0.482 HG21 ' CE2' ' G' ' 75' ' ' TYR . 0.2 OUTLIER -75.35 101.62 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.814 -179.472 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.62 -149.01 11.87 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.9 73.02 0.38 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.59 141.6 25.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.176 0.512 . . . . 0.0 111.237 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.1 -47.67 0.71 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.16 133.27 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.797 0.332 . . . . 0.0 110.542 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t -136.24 96.96 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.137 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.99 98.31 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.405 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.06 165.2 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.511 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 65.0 m -142.39 116.55 9.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.377 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.51 -177.31 4.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.934 0.397 . . . . 0.0 111.334 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.51 174.96 5.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.653 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.96 147.15 30.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.348 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -107.72 -77.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.054 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.18 67.96 1.0 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.27 116.35 29.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.481 0.181 . . . . 0.0 110.62 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.12 157.05 7.51 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.582 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.29 135.21 54.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.464 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 96' ' ' SER . . . . . 0.447 ' HB2' HG22 ' F' ' 68' ' ' THR . 7.9 t 59.89 -164.52 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.493 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.565 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.46 0.043 0 CA-C-O 120.899 0.381 . . . . 0.0 110.655 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 25.9 t -66.92 137.68 56.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.474 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 95.0 m -120.3 130.53 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.028 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.39 124.1 11.87 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.185 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.01 -52.39 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.441 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.08 -178.74 5.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.811 0.339 . . . . 0.0 110.789 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.21 70.56 1.23 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 30.34 71.68 0.07 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.89 95.13 0.39 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.87 88.62 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.885 0.374 . . . . 0.0 110.023 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.56 149.17 25.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.62 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -135.49 137.45 42.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.576 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -110.2 105.15 14.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 67.1 m -119.8 23.51 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -70.33 151.71 44.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.664 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -111.28 133.7 53.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.533 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.26 93.65 0.16 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.01 146.41 40.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.741 0.305 . . . . 0.0 110.422 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 70.5 m -135.3 144.79 46.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.941 0.401 . . . . 0.0 110.694 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.12 58.55 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.835 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.48 132.44 39.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.411 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 53.7 m -133.54 134.99 44.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.82 -160.38 0.72 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.58 -62.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 111.025 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.72 -94.63 0.9 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.076 -0.809 . . . . 0.0 111.076 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 68' ' ' THR . . . . . 0.445 HG22 ' HB2' ' G' ' 96' ' ' SER . 21.0 p -116.11 112.18 21.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.82 0.343 . . . . 0.0 110.506 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 69' ' ' GLN . . . . . 0.47 HE22 HG23 ' G' ' 71' ' ' THR . 6.9 tm0? -161.64 133.09 5.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.558 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -106.44 124.9 50.3 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.769 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -82.57 174.03 6.68 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.809 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' G' ' 71' ' ' THR . 71.7 Cg_exo -49.48 -177.36 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.777 2.318 . . . . 0.0 113.429 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 73' ' ' GLN . . . . . 0.465 ' H ' ' H ' ' H' ' 74' ' ' GLY . 1.3 tp60 -147.15 110.47 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.168 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 74' ' ' GLY . . . . . 0.468 ' H ' ' H ' ' F' ' 73' ' ' GLN . . . 129.66 -83.43 0.32 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 75' ' ' TYR . . . . . 0.482 ' CE2' HG21 ' F' ' 78' ' ' THR . 1.9 m-85 -102.7 -53.46 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.778 -0.248 . . . . 0.0 110.728 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.18 120.61 0.01 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 2.3 t 49.32 89.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 78' ' ' THR . . . . . 0.483 HG21 ' CE2' ' H' ' 75' ' ' TYR . 0.2 OUTLIER -75.36 101.49 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.831 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.64 -149.02 11.86 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.95 72.99 0.39 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.63 141.68 25.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 111.259 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.06 -47.57 0.71 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.04 133.33 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.844 0.355 . . . . 0.0 110.446 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 13.6 t -136.29 96.94 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.205 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -116.01 98.36 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.393 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 11.3 t -144.03 165.19 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.399 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 64.1 m -142.38 116.6 9.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.391 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.33 4.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.946 0.403 . . . . 0.0 111.325 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 79.0 p -169.46 174.94 5.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.607 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.93 147.14 30.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.342 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.76 -76.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.099 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.25 68.07 0.98 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.4 116.26 29.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.572 0.225 . . . . 0.0 110.614 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -169.06 157.02 7.56 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.558 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -114.16 135.14 54.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.427 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 96' ' ' SER . . . . . 0.445 ' HB2' HG22 ' G' ' 68' ' ' THR . 7.9 t 59.83 -164.45 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.609 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.969 0.414 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -67.01 137.77 56.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.501 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -120.36 130.52 54.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.065 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.36 124.17 11.94 Favored 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.209 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.11 -52.44 14.25 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.327 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.06 -178.85 5.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.89 0.376 . . . . 0.0 110.729 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.31 70.55 1.23 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.24 71.76 0.07 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.92 95.13 0.39 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.87 88.61 0.11 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.59 149.22 25.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.43 137.46 42.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -110.22 105.26 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.444 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 67.4 m -119.91 23.43 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.799 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.21 151.63 45.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.701 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.28 133.66 53.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.509 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.31 93.57 0.16 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -138.94 146.38 40.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.681 0.277 . . . . 0.0 110.5 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.35 144.72 46.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.777 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.15 58.51 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.5 132.51 39.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.367 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 52.0 m -133.62 134.97 43.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.84 -160.29 0.72 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -62.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.638 0.256 . . . . 0.0 111.012 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.69 -94.63 0.91 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 68' ' ' THR . . . . . 0.443 HG22 ' HB2' ' H' ' 96' ' ' SER . 21.2 p -116.18 112.26 21.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.476 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 69' ' ' GLN . . . . . 0.47 HE22 HG23 ' H' ' 71' ' ' THR . 6.9 tm0? -161.6 133.16 5.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.465 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -106.6 124.89 50.28 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.709 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -82.49 173.92 6.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.858 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' H' H ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' H' ' 71' ' ' THR . 70.0 Cg_exo -49.41 -177.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.861 2.374 . . . . 0.0 113.414 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 73' ' ' GLN . . . . . 0.461 ' H ' ' H ' ' I' ' 74' ' ' GLY . 1.3 tp60 -147.23 110.49 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.141 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 74' ' ' GLY . . . . . 0.465 ' H ' ' H ' ' G' ' 73' ' ' GLN . . . 129.75 -83.52 0.32 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 75' ' ' TYR . . . . . 0.483 ' CE2' HG21 ' G' ' 78' ' ' THR . 1.9 m-85 -102.62 -53.4 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.678 0.275 . . . . 0.0 110.727 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.1 120.66 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 2.3 t 49.26 89.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.718 0.294 . . . . 0.0 110.302 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 78' ' ' THR . . . . . 0.48 HG21 ' CE2' ' I' ' 75' ' ' TYR . 0.2 OUTLIER -75.32 101.61 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.8 -179.439 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.66 -149.01 11.84 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.98 72.97 0.39 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.61 141.59 25.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.106 0.479 . . . . 0.0 111.327 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.18 -47.64 0.71 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.07 133.35 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.808 0.337 . . . . 0.0 110.464 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 13.8 t -136.31 96.94 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.18 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.98 98.24 6.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.383 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -143.93 165.2 28.41 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.522 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 64.9 m -142.34 116.52 9.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.383 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.44 4.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.947 0.404 . . . . 0.0 111.257 -178.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.34 174.97 5.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.68 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.91 147.14 30.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.311 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -107.76 -76.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.26 68.06 0.98 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.31 116.14 28.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.538 0.209 . . . . 0.0 110.752 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -168.94 156.98 7.72 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.526 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.19 135.18 54.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.443 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 96' ' ' SER . . . . . 0.443 ' HB2' HG22 ' H' ' 68' ' ' THR . 7.9 t 59.97 -164.53 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.544 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.46 0.074 0 CA-C-O 120.938 0.399 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -66.75 137.98 57.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.446 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -120.66 130.44 54.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.042 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -146.2 125.51 13.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -74.71 -52.65 11.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -131.9 -178.8 5.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.852 0.358 . . . . 0.0 110.802 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.35 70.6 1.23 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.12 72.94 0.05 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.034 0.49 . . . . 0.0 112.141 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.04 94.97 0.47 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.9 87.99 0.12 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.921 0.391 . . . . 0.0 110.127 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.02 149.29 26.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.668 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -135.47 137.52 42.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.483 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -110.22 105.25 14.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.455 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 67.8 m -119.94 23.45 11.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 75.1 m -70.18 151.62 45.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.659 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -111.21 133.65 53.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 93.47 0.16 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -138.85 146.5 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.466 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 70.5 m -135.36 144.77 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.941 0.401 . . . . 0.0 110.718 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.15 58.39 5.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.42 132.52 39.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.437 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 52.0 m -133.52 135.29 44.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.09 -160.18 0.77 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.95 -62.54 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.467 0.175 . . . . 0.0 110.912 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.88 -94.78 0.91 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 68' ' ' THR . . . . . 0.444 HG22 ' HB2' ' I' ' 96' ' ' SER . 21.5 p -116.08 112.15 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.47 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 69' ' ' GLN . . . . . 0.473 HE22 HG23 ' I' ' 71' ' ' THR . 6.9 tm0? -161.65 133.13 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.279 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -106.25 125.44 51.0 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.75 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 71' ' ' THR . . . . . 0.485 HG22 ' CD ' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -82.88 173.84 6.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.696 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' I' I ' 72' ' ' PRO . . . . . 0.485 ' CD ' HG22 ' I' ' 71' ' ' THR . 77.7 Cg_exo -49.65 -176.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.837 2.358 . . . . 0.0 113.234 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -147.43 111.04 4.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.111 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 74' ' ' GLY . . . . . 0.461 ' H ' ' H ' ' H' ' 73' ' ' GLN . . . 129.78 -83.39 0.32 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 75' ' ' TYR . . . . . 0.48 ' CE2' HG21 ' H' ' 78' ' ' THR . 1.9 m-85 -102.31 -53.57 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.728 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.4 120.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.16 89.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.731 0.3 . . . . 0.0 110.216 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.13 101.58 4.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.872 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.61 -148.86 11.82 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.97 73.18 0.37 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.88 142.2 25.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.393 0.615 . . . . 0.0 111.078 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.97 -47.34 0.73 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 170.95 133.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.716 0.293 . . . . 0.0 110.525 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 14.3 t -136.35 96.91 3.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.204 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -116.03 98.28 6.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.311 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 11.6 t -144.02 164.65 30.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 111.512 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 63.0 m -141.82 116.67 9.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.481 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.6 -177.3 4.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.941 0.401 . . . . 0.0 111.309 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 79.2 p -169.5 174.98 5.64 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 5.2 p -146.86 147.09 30.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.403 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -108.21 -77.03 0.6 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.03 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.09 68.51 0.99 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -97.57 116.23 29.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.545 0.212 . . . . 0.0 110.677 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -169.09 156.99 7.51 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.485 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 69.3 m -114.38 135.04 54.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 96' ' ' SER . . . . . 0.444 ' HB2' HG22 ' I' ' 68' ' ' THR . 7.9 t 60.08 -164.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.457 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.532 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.818 0.342 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -130.33 147.66 52.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.646 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.4 p -134.24 135.1 42.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.3 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -143.1 144.63 32.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.425 HG22 ' N ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -120.07 -53.32 2.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.285 0.565 . . . . 0.0 110.751 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.425 ' N ' HG22 ' A' ' 47' ' ' THR . 54.1 p -132.7 -166.49 1.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.458 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -39.44 3.11 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.445 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.49 -166.62 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.24 -47.38 30.01 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.71 -81.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.945 0.438 . . . . 0.0 110.004 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.5 m -101.67 127.35 48.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.273 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -126.0 131.69 52.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.618 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -92.82 -174.45 3.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.513 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.4 m -138.39 154.76 48.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -163.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.811 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -123.77 24.39 8.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.605 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.0 135.67 2.38 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 53.28 40.86 31.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.685 0.279 . . . . 0.0 110.725 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.87 139.5 46.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.598 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.88 86.03 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.521 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.59 131.4 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.8 m -121.29 127.67 51.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.82 -162.08 0.29 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.29 -57.96 10.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.687 0.28 . . . . 0.0 111.306 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.55 -90.41 0.52 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.4 HG22 ' HB2' ' A' ' 96' ' ' SER . 19.4 p -116.31 110.97 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.25 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.89 160.65 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.484 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.2 m -118.36 122.45 42.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.348 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.42 173.29 6.97 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.101 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -43.72 167.16 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.702 2.268 . . . . 0.0 113.562 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.426 ' H ' ' H ' ' B' ' 74' ' ' GLY . 7.7 mp0 -143.26 111.44 6.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.148 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.72 -82.18 0.33 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.88 92.46 3.91 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.212 0.529 . . . . 0.0 110.456 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.77 -91.14 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.46 140.34 27.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.991 0.424 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.34 101.3 2.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.185 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.16 101.13 0.04 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.46 101.4 0.44 Allowed Glycine 0 CA--C 1.518 0.271 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -91.24 -70.61 0.68 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.058 0.456 . . . . 0.0 110.181 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.6 -59.2 1.22 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.46 136.12 16.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.787 0.327 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.36 101.5 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -131.92 126.81 35.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.779 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.4 p -149.31 175.73 11.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.053 0.454 . . . . 0.0 111.238 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t -147.41 125.44 12.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.06 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.92 175.51 13.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.941 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.3 p -170.98 177.55 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.807 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.0 p -162.38 165.59 26.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.264 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -81.09 -72.69 0.41 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.712 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.27 72.72 0.04 OUTLIER Glycine 0 CA--C 1.528 0.848 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.769 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.4 167.92 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.665 0.269 . . . . 0.0 110.538 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.53 145.31 51.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.22 125.19 46.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.319 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.4 ' HB2' HG22 ' A' ' 68' ' ' THR . 9.9 t 57.2 -163.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.546 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.578 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.803 0.335 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.21 147.59 51.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.739 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 81.6 p -134.29 134.69 42.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.364 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.61 144.29 32.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.749 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.422 HG22 ' N ' ' B' ' 48' ' ' SER . 1.0 OUTLIER -120.23 -53.11 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.066 0.46 . . . . 0.0 110.711 179.75 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.422 ' N ' HG22 ' B' ' 47' ' ' THR . 54.4 p -132.97 -166.44 1.76 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.401 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.65 -39.45 3.11 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.493 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.3 -167.1 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.94 -47.38 32.07 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.68 -81.57 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.932 0.43 . . . . 0.0 109.949 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -101.56 127.36 48.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.319 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.91 131.67 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.662 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -92.77 -174.39 3.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.554 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 63.4 m -138.51 154.75 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.2 -162.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.865 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.21 24.35 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.527 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.06 135.63 2.37 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.29 40.78 31.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.736 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.78 139.58 47.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.92 86.07 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.69 131.46 44.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 82.0 m -121.04 127.79 52.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.99 -162.0 0.3 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.4 -57.94 10.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.447 0.165 . . . . 0.0 111.228 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.78 -90.96 0.54 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.402 HG22 ' HB2' ' B' ' 96' ' ' SER . 19.9 p -115.95 111.01 19.77 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.85 160.6 10.43 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.458 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 61.4 m -118.19 122.24 42.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.88 173.56 6.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.943 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 83.0 Cg_exo -43.68 168.59 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.726 2.284 . . . . 0.0 113.395 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.438 ' H ' ' H ' ' C' ' 74' ' ' GLY . 7.6 mp0 -144.79 110.47 5.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.193 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' GLY . . . . . 0.426 ' H ' ' H ' ' A' ' 73' ' ' GLN . . . 119.73 -81.95 0.34 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.73 92.48 3.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.819 0.342 . . . . 0.0 110.365 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.84 -90.85 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -145.36 140.32 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.22 100.89 2.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.263 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.96 101.26 0.04 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.43 101.27 0.43 Allowed Glycine 0 CA--C 1.519 0.288 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -91.52 -70.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.188 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.69 -58.98 1.22 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.53 136.27 16.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.746 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.45 101.57 2.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.316 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.16 125.79 32.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -148.18 176.04 10.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.057 0.456 . . . . 0.0 111.311 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 44.6 t -147.43 125.31 11.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.136 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.87 175.54 13.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.388 . . . . 0.0 110.907 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.09 177.47 3.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.757 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 95.2 p -162.2 165.44 26.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -81.16 -72.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.565 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.08 72.53 0.04 OUTLIER Glycine 0 CA--C 1.527 0.794 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.697 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.27 167.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.652 0.263 . . . . 0.0 110.522 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.5 145.29 51.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -121.23 125.3 46.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.256 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' SER . . . . . 0.402 ' HB2' HG22 ' B' ' 68' ' ' THR . 9.9 t 57.18 -163.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.594 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.669 0.271 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -130.2 147.54 51.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.723 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.3 134.75 42.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.302 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -142.67 144.31 32.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.719 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' THR . . . . . 0.421 HG22 ' N ' ' C' ' 48' ' ' SER . 1.0 OUTLIER -120.16 -53.3 2.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.042 0.449 . . . . 0.0 110.85 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 48' ' ' SER . . . . . 0.421 ' N ' HG22 ' C' ' 47' ' ' THR . 54.3 p -132.85 -166.43 1.75 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.437 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.66 -39.57 3.1 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.459 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.4 -167.09 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.97 -47.38 31.91 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.7 -81.66 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.973 0.455 . . . . 0.0 109.962 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 67.3 m -101.58 127.37 48.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.31 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.93 131.7 52.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.616 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -92.86 -174.36 3.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 62.4 m -138.58 154.72 48.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.821 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -162.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.941 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -124.3 24.38 8.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.05 135.69 2.38 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.33 40.72 31.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 0.0 110.719 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.81 139.56 47.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.85 86.11 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.522 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.69 131.47 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.617 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 80.4 m -121.08 127.88 52.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -161.99 0.32 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.36 -58.04 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.543 0.211 . . . . 0.0 111.199 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.82 -90.92 0.54 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.8 p -115.97 111.05 19.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.85 160.61 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.181 -0.607 . . . . 0.0 111.383 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 59.7 m -118.25 122.38 42.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.329 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.9 173.56 6.75 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 72' ' ' PRO . . . . . 0.401 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 81.5 Cg_exo -43.62 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.662 2.241 . . . . 0.0 113.414 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 73' ' ' GLN . . . . . 0.437 ' H ' ' H ' ' D' ' 74' ' ' GLY . 7.5 mp0 -144.9 110.45 5.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.188 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 74' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' B' ' 73' ' ' GLN . . . 119.88 -82.01 0.34 Allowed Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.78 92.56 3.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 0.0 110.307 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.87 -90.73 0.01 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -145.4 140.38 27.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.438 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.25 100.94 2.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.187 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.07 101.29 0.04 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.41 101.23 0.42 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -91.49 -70.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.373 . . . . 0.0 110.182 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.66 -59.05 1.22 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -152.5 136.28 16.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.32 . . . . 0.0 110.767 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.45 101.57 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.34 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -132.18 125.69 31.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.884 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 92.6 p -148.12 176.02 10.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.957 0.408 . . . . 0.0 111.262 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.4 125.35 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.107 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.92 175.45 13.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.922 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -170.99 177.45 3.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.756 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 96.2 p -162.22 165.49 26.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.45 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -81.14 -72.8 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.18 72.48 0.04 OUTLIER Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.622 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.25 167.79 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.73 0.3 . . . . 0.0 110.48 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.52 145.26 51.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -121.22 125.19 46.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.33 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 10.0 t 57.27 -163.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.479 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 66.9 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.535 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.674 0.273 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.21 147.61 51.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.742 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 81.5 p -134.22 134.78 42.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.456 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.63 144.21 32.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.647 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 47' ' ' THR . . . . . 0.425 HG22 ' N ' ' D' ' 48' ' ' SER . 1.0 OUTLIER -120.25 -53.09 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.04 0.448 . . . . 0.0 110.537 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 48' ' ' SER . . . . . 0.425 ' N ' HG22 ' D' ' 47' ' ' THR . 54.4 p -133.02 -166.35 1.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.488 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -39.48 3.11 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.406 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.55 -166.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.23 -47.35 30.21 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.78 -81.7 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 122.747 0.419 . . . . 0.0 110.012 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 67.9 m -101.5 127.37 48.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.303 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.84 131.73 52.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.671 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -92.84 -174.24 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.452 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.71 154.76 48.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -162.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.872 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.29 24.32 8.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.556 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.03 135.66 2.38 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 53.24 40.77 31.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.834 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 47.6 t -72.86 139.61 47.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.537 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.89 85.93 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.62 131.38 44.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 76.6 m -121.25 127.46 51.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.021 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.78 -161.91 0.27 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.51 -57.64 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.49 0.186 . . . . 0.0 111.197 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.42 -90.8 0.54 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 68' ' ' THR . . . . . 0.4 HG22 ' HB2' ' D' ' 96' ' ' SER . 19.6 p -115.94 110.7 19.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.579 0.228 . . . . 0.0 110.574 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.7 160.74 10.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.449 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 60.4 m -118.29 122.41 42.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.378 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.92 173.61 6.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.95 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 72' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 83.7 Cg_exo -43.69 168.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.713 2.275 . . . . 0.0 113.406 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 73' ' ' GLN . . . . . 0.471 ' H ' ' H ' ' E' ' 74' ' ' GLY . 7.6 mp0 -144.89 110.4 5.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.242 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 74' ' ' GLY . . . . . 0.437 ' H ' ' H ' ' C' ' 73' ' ' GLN . . . 119.82 -81.89 0.34 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 92.55 3.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 110.4 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.84 -90.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.4 140.54 27.71 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.38 100.96 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.563 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.91 101.08 0.04 OUTLIER Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.41 101.4 0.44 Allowed Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -91.51 -70.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.976 0.417 . . . . 0.0 110.216 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -59.04 1.22 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -152.5 136.31 16.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.48 101.52 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.361 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.12 125.76 32.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 93.0 p -148.18 176.08 10.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 111.309 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t -147.51 125.32 11.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.026 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.9 175.42 13.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.977 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -171.0 177.55 3.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.675 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 95.5 p -162.22 165.43 26.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.507 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -81.15 -72.77 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.584 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.12 72.5 0.04 OUTLIER Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.606 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.33 167.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.712 0.292 . . . . 0.0 110.508 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.48 145.28 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.17 125.17 46.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.32 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 96' ' ' SER . . . . . 0.4 ' HB2' HG22 ' D' ' 68' ' ' THR . 10.0 t 57.25 -163.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.499 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 67.4 t80 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.618 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.784 0.326 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.25 147.57 51.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.739 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 82.2 p -134.35 134.89 42.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.241 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -142.05 144.53 33.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.784 0.678 . . . . 0.0 110.954 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 47' ' ' THR . . . . . 0.457 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -121.25 -49.39 2.17 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 119.184 -1.006 . . . . 0.0 112.244 177.209 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 48' ' ' SER . . . . . 0.457 ' N ' HG22 ' E' ' 47' ' ' THR . 53.3 p -131.08 -165.81 1.61 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.681 0.753 . . . . 0.0 110.76 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.05 -32.22 3.56 Favored Glycine 0 C--N 1.313 -0.739 0 CA-C-O 118.286 -1.285 . . . . 0.0 111.851 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 167.33 -166.58 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 118.902 1.351 . . . . 0.0 108.605 176.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.85 -44.06 25.99 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 119.42 -1.372 . . . . 0.0 111.109 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.25 -83.72 0.0 OUTLIER 'General case' 0 C--N 1.346 0.453 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 68.0 m -100.65 127.41 47.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.144 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -126.02 131.64 52.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.612 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -92.81 -174.36 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.461 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 63.3 m -138.55 154.7 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.761 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -162.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.934 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -124.11 24.29 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.09 135.69 2.38 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.27 40.73 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 0.0 110.807 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 47.7 t -72.84 139.58 47.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.619 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.82 85.75 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.592 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.52 131.43 44.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.62 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 77.0 m -121.05 127.79 52.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.642 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.52 -162.34 0.28 Allowed Glycine 0 CA--C 1.524 0.638 0 O-C-N 124.002 0.814 . . . . 0.0 111.153 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.23 -58.43 8.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.5 0.19 . . . . 0.0 111.096 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.13 -91.3 0.54 Allowed Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 68' ' ' THR . . . . . 0.401 HG22 ' HB2' ' E' ' 96' ' ' SER . 19.8 p -115.88 110.58 19.22 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.398 0.705 . . . . 0.0 110.192 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.31 161.02 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.19 -0.604 . . . . 0.0 111.417 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 58.9 m -118.73 123.38 44.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.212 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.86 173.43 6.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 O-C-N 124.75 1.281 . . . . 0.0 109.543 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 85.0 Cg_exo -43.74 168.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.667 2.245 . . . . 0.0 113.253 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 73' ' ' GLN . . . . . 0.441 ' H ' ' H ' ' F' ' 74' ' ' GLY . 7.2 mp0 -144.6 114.15 7.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.546 178.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 74' ' ' GLY . . . . . 0.471 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 117.42 -82.98 0.33 Allowed Glycine 0 CA--C 1.539 1.588 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -178.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.69 90.79 3.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 122.754 -0.262 . . . . 0.0 111.049 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.64 -90.86 0.01 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.57 140.19 27.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.024 0.44 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.46 101.02 3.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.45 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.64 103.06 0.07 OUTLIER Glycine 0 CA--C 1.526 0.78 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.85 102.37 0.63 Allowed Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -90.11 -72.71 0.55 Allowed 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 121.59 0.709 . . . . 0.0 110.6 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.61 -59.27 1.28 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 47.4 t -152.38 136.2 16.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.706 0.289 . . . . 0.0 110.796 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -150.23 100.31 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -131.39 125.03 31.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 93.0 p -148.09 175.68 10.82 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.125 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.38 125.39 12.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.072 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.03 175.27 14.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.888 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 83.7 p -170.14 178.39 3.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 97.5 p -162.63 165.31 25.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.477 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -80.88 -72.43 0.42 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.967 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.83 70.3 0.04 OUTLIER Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.821 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.32 167.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.964 0.382 . . . . 0.0 110.59 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.51 145.3 51.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -121.14 125.17 46.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.138 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 96' ' ' SER . . . . . 0.401 ' HB2' HG22 ' E' ' 68' ' ' THR . 10.1 t 57.3 -163.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.501 0.501 . . . . 0.0 110.494 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 67.1 t80 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.55 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.716 0.293 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -130.28 147.51 52.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.2 134.69 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.356 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -142.51 144.17 32.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.799 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 47' ' ' THR . . . . . 0.428 HG22 ' N ' ' F' ' 48' ' ' SER . 1.0 OUTLIER -120.17 -53.3 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 110.694 179.743 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 48' ' ' SER . . . . . 0.428 ' N ' HG22 ' F' ' 47' ' ' THR . 54.2 p -132.78 -166.41 1.75 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.448 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.59 -39.44 3.11 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.497 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.31 -167.2 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.93 -47.36 32.27 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.72 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 124.015 0.479 . . . . 0.0 109.977 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 67.5 m -101.63 127.35 48.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.28 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.91 131.59 52.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.729 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.77 -174.44 3.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.47 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 63.3 m -138.55 154.73 48.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -162.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.899 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.2 24.27 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.98 135.68 2.38 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.33 40.73 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.338 . . . . 0.0 110.748 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.74 139.75 47.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.609 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.97 86.04 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.79 131.54 44.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 81.4 m -121.1 128.43 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.46 -161.83 0.37 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.35 -58.38 8.76 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.201 -0.199 . . . . 0.0 111.159 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.05 -91.08 0.54 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 68' ' ' THR . . . . . 0.404 HG22 ' HB2' ' F' ' 96' ' ' SER . 19.7 p -115.68 111.23 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.98 160.75 10.27 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.378 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 59.5 m -118.36 122.36 42.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.277 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.92 173.64 6.64 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 72' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 82.9 Cg_exo -43.65 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.788 2.325 . . . . 0.0 113.325 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 73' ' ' GLN . . . . . 0.444 ' H ' ' H ' ' G' ' 74' ' ' GLY . 7.6 mp0 -144.91 110.37 5.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.195 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 74' ' ' GLY . . . . . 0.441 ' H ' ' H ' ' E' ' 73' ' ' GLN . . . 119.91 -81.99 0.34 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.63 92.46 3.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.341 . . . . 0.0 110.384 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.8 -90.87 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.47 140.45 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.055 0.455 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.35 100.81 2.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.212 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.86 101.33 0.04 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.36 101.07 0.41 Allowed Glycine 0 CA--C 1.518 0.243 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -91.35 -70.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.343 . . . . 0.0 110.145 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -59.03 1.22 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.44 136.2 16.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.38 101.46 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.391 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.07 125.73 32.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 93.2 p -148.09 176.1 10.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.011 0.434 . . . . 0.0 111.334 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.43 125.35 12.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.113 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.84 175.47 13.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.958 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.03 177.54 3.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.744 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 95.8 p -162.31 165.48 26.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.455 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -81.29 -72.86 0.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.514 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.29 72.48 0.04 OUTLIER Glycine 0 CA--C 1.525 0.673 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.576 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.31 167.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 110.435 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.54 145.3 51.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.8 m -121.23 125.29 46.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.325 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 96' ' ' SER . . . . . 0.404 ' HB2' HG22 ' F' ' 68' ' ' THR . 10.0 t 57.18 -163.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.551 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.612 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.781 0.324 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -130.24 147.6 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.748 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.3 134.82 42.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.276 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.73 144.23 32.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.743 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 47' ' ' THR . . . . . 0.428 HG22 ' N ' ' G' ' 48' ' ' SER . 1.0 OUTLIER -120.26 -53.04 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.037 0.446 . . . . 0.0 110.699 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' G' G ' 48' ' ' SER . . . . . 0.428 ' N ' HG22 ' G' ' 47' ' ' THR . 54.3 p -133.0 -166.42 1.76 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.438 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.68 -39.56 3.1 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.467 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.37 -167.12 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.93 -47.42 31.98 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.75 -81.63 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 124.014 0.479 . . . . 0.0 109.903 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 67.0 m -101.56 127.43 48.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.316 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.96 131.66 52.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.608 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -92.74 -174.34 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.54 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.54 154.78 48.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.731 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -162.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.888 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.21 24.29 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.518 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.06 135.62 2.37 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.4 40.72 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.693 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.74 139.53 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.9 86.07 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.509 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.74 131.5 44.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 81.0 m -121.02 127.92 52.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.774 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -161.8 0.31 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.62 -58.02 10.25 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.14 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.81 -90.92 0.54 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 68' ' ' THR . . . . . 0.407 HG22 ' HB2' ' G' ' 96' ' ' SER . 19.8 p -115.91 111.04 19.84 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.82 160.69 10.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.53 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 60.8 m -118.29 122.36 42.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.384 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.95 173.59 6.71 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.926 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 83.0 Cg_exo -43.61 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.733 2.289 . . . . 0.0 113.389 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 73' ' ' GLN . . . . . 0.445 ' H ' ' H ' ' H' ' 74' ' ' GLY . 7.5 mp0 -144.99 110.49 5.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.049 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 74' ' ' GLY . . . . . 0.444 ' H ' ' H ' ' F' ' 73' ' ' GLN . . . 119.87 -81.91 0.34 Allowed Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.8 92.56 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.91 -90.76 0.01 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.44 140.37 27.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.963 0.411 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.23 100.8 2.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.299 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.93 101.35 0.04 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.4 101.22 0.42 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -91.49 -70.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.781 0.325 . . . . 0.0 110.154 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.59 -59.12 1.22 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -152.43 136.38 16.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 0.0 110.751 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.56 101.55 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.311 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -132.08 125.58 31.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.995 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -147.99 176.07 10.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 111.348 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 44.5 t -147.48 125.33 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.046 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.85 175.46 13.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.992 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -171.04 177.53 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.793 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 95.7 p -162.23 165.5 26.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.498 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -81.22 -72.93 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.538 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.28 72.54 0.04 OUTLIER Glycine 0 CA--C 1.528 0.85 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.559 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.19 167.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.674 0.274 . . . . 0.0 110.539 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.53 145.28 51.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -121.16 125.22 46.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 96' ' ' SER . . . . . 0.407 ' HB2' HG22 ' G' ' 68' ' ' THR . 10.0 t 57.1 -163.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.521 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 67.2 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.613 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.731 0.301 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 58.8 m -130.25 147.51 51.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.724 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 81.7 p -134.2 134.73 42.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.338 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.65 144.12 32.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.732 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 47' ' ' THR . . . . . 0.427 HG22 ' N ' ' H' ' 48' ' ' SER . 1.0 OUTLIER -120.1 -53.25 2.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.055 0.455 . . . . 0.0 110.691 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' H' H ' 48' ' ' SER . . . . . 0.427 ' N ' HG22 ' H' ' 47' ' ' THR . 54.4 p -132.91 -166.38 1.75 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.429 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.61 -39.46 3.11 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.444 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.35 -167.17 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.86 -47.46 32.24 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.78 -81.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.964 0.45 . . . . 0.0 109.939 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 67.1 m -101.51 127.34 48.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.358 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.91 131.76 52.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.603 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.88 -174.48 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.433 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.44 154.82 48.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.754 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -162.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.84 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.2 24.25 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.04 135.65 2.37 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.32 40.72 31.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.786 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 47.7 t -72.81 139.65 47.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.526 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.93 85.98 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.485 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.7 131.52 44.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 79.9 m -121.07 127.94 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.748 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.16 -161.86 0.32 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.4 -58.12 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.518 0.199 . . . . 0.0 111.193 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.84 -90.91 0.54 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 68' ' ' THR . . . . . 0.41 HG22 ' HB2' ' H' ' 96' ' ' SER . 19.8 p -115.89 111.08 19.92 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.83 160.75 10.57 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.446 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 61.0 m -118.33 122.31 42.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.376 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.87 173.58 6.73 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.945 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 84.6 Cg_exo -43.72 168.76 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.719 2.279 . . . . 0.0 113.338 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 73' ' ' GLN . . . . . 0.441 ' H ' ' H ' ' I' ' 74' ' ' GLY . 7.6 mp0 -144.95 110.46 5.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.18 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 74' ' ' GLY . . . . . 0.445 ' H ' ' H ' ' G' ' 73' ' ' GLN . . . 119.89 -82.09 0.34 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.59 92.59 3.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.828 0.347 . . . . 0.0 110.346 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.77 -90.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.4 140.41 27.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.985 0.421 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.31 100.76 2.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.278 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.78 101.28 0.04 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.136 -1.185 . . . . 0.0 110.136 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.33 101.27 0.42 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -91.59 -70.45 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -58.92 1.23 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -152.51 136.29 16.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.754 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.43 101.59 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.313 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -132.11 125.57 31.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.94 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -147.98 176.03 10.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.019 0.438 . . . . 0.0 111.353 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 44.3 t -147.37 125.43 12.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.043 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.88 175.51 13.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.954 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.11 177.52 3.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.765 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 96.1 p -162.27 165.42 26.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.495 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -81.09 -72.95 0.4 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.536 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.29 72.42 0.04 OUTLIER Glycine 0 CA--C 1.526 0.74 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.579 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.17 167.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 110.512 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.44 145.36 51.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.22 125.29 46.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.302 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 96' ' ' SER . . . . . 0.41 ' HB2' HG22 ' H' ' 68' ' ' THR . 9.9 t 57.12 -163.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.555 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 67.0 t80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.56 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.739 0.304 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 57.5 m -130.23 147.35 51.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.815 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 81.3 p -134.15 134.58 42.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.385 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -142.84 142.89 31.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.894 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 47' ' ' THR . . . . . 0.423 HG22 ' N ' ' I' ' 48' ' ' SER . 1.0 OUTLIER -119.12 -53.3 2.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.844 179.649 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 48' ' ' SER . . . . . 0.423 ' N ' HG22 ' I' ' 47' ' ' THR . 54.4 p -132.7 -166.2 1.71 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.533 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.68 -39.43 3.11 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 169.97 -167.69 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.29 -47.61 35.4 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.92 -81.56 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.962 0.448 . . . . 0.0 109.947 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -101.68 127.47 48.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 110.189 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -126.04 131.66 52.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -92.9 -174.53 3.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.474 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 63.5 m -138.26 154.93 49.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.788 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.864 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -124.2 24.39 8.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.05 135.69 2.38 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 53.26 40.74 31.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.725 0.298 . . . . 0.0 110.783 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.75 139.62 47.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.92 86.07 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.526 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.79 131.55 44.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.484 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 77.9 m -120.96 128.09 52.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.719 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.34 -161.8 0.35 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.51 -58.08 10.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.254 -0.179 . . . . 0.0 111.067 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.81 -91.04 0.54 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 68' ' ' THR . . . . . 0.413 HG22 ' HB2' ' I' ' 96' ' ' SER . 20.1 p -115.9 110.99 19.78 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.89 160.74 10.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 60.5 m -117.97 122.94 44.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.319 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.13 173.29 7.05 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.807 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -43.95 169.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.7 2.267 . . . . 0.0 113.163 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -145.05 110.87 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.231 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 74' ' ' GLY . . . . . 0.441 ' H ' ' H ' ' H' ' 73' ' ' GLN . . . 120.01 -81.83 0.34 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.5 92.68 3.99 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.87 -90.51 0.01 OUTLIER Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.5 140.34 27.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.402 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.15 100.95 2.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.281 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.28 101.65 0.05 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.29 101.1 0.4 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -91.84 -70.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.221 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.69 -58.85 1.23 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -152.5 136.34 16.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.844 0.354 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.52 101.48 2.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.379 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -132.03 125.5 31.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.781 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 92.1 p -148.07 175.61 10.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.983 0.421 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.02 125.39 12.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.092 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.01 174.91 14.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.966 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -170.46 177.55 4.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 96.1 p -162.21 165.2 27.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -81.11 -72.56 0.42 Allowed 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.521 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 168.68 72.17 0.03 OUTLIER Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.351 -0.928 . . . . 0.0 111.429 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.23 167.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.746 0.308 . . . . 0.0 110.522 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.41 145.31 51.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.8 m -121.3 125.23 46.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.209 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 96' ' ' SER . . . . . 0.413 ' HB2' HG22 ' I' ' 68' ' ' THR . 10.0 t 57.15 -163.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 67.0 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.578 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.745 0.307 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.1 p -71.19 160.92 31.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -141.08 153.88 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.667 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -150.59 163.34 38.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.315 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -123.17 -53.39 1.83 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.594 -179.666 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 47' ' ' THR . 68.6 m -133.8 135.38 43.79 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.003 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.51 76.02 1.03 Allowed Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.319 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 32.35 68.48 0.13 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.907 0.416 . . . . 0.0 112.084 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.76 94.95 0.31 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 66.77 96.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 0.0 110.12 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.88 147.82 15.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.337 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.81 135.19 55.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.787 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -128.79 131.27 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.444 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.96 -42.08 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.286 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.5 t -153.14 96.79 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.228 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -90.23 77.2 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.679 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.67 -165.28 50.43 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.29 -35.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.678 0.275 . . . . 0.0 110.614 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -132.09 148.44 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.75 56.32 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.407 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -101.36 129.01 47.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.8 m -132.51 136.78 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.05 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.1 -160.45 1.64 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.85 -55.77 7.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.36 . . . . 0.0 111.099 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.85 -92.06 0.97 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.1 p -115.69 130.42 56.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.121 0.486 . . . . 0.0 110.507 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -161.63 129.96 4.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.629 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' HG23 ' B' ' 71' ' ' THR . 23.1 p -109.93 141.59 42.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.672 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.43 ' C ' ' OG1' ' B' ' 71' ' ' THR . 61.7 p -92.59 161.92 30.86 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.56 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -88.54 108.16 0.52 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.889 2.393 . . . . 0.0 113.428 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -58.81 159.02 7.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.635 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.41 -97.6 1.49 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.46 ' CE2' HG23 ' A' ' 78' ' ' THR . 0.1 OUTLIER -123.8 42.73 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.213 0.53 . . . . 0.0 110.606 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.17 136.1 51.27 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.81 89.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.842 0.353 . . . . 0.0 110.189 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.46 HG23 ' CE2' ' A' ' 75' ' ' TYR . 63.4 m -101.24 104.56 15.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.11 0.481 . . . . 0.0 110.493 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.42 -144.96 12.32 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.09 71.83 0.52 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -53.61 134.09 41.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.535 0.207 . . . . 0.0 110.953 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.89 -47.35 0.57 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 172.48 131.37 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.949 0.404 . . . . 0.0 110.809 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.3 m -134.75 91.83 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.61 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -54.54 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.591 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 p -163.74 -177.14 4.99 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.134 -0.626 . . . . 0.0 112.021 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -164.45 148.4 9.41 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.773 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.65 130.43 52.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.745 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.09 161.55 8.61 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.936 0.398 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.466 ' HG ' ' HD1' ' A' ' 91' ' ' TYR . 87.9 p -162.81 -174.44 3.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.466 ' HD1' ' HG ' ' A' ' 90' ' ' SER . 65.5 m-85 58.09 72.47 0.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.742 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.64 52.56 0.57 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.48 170.82 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.597 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.52 158.81 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.37 178.59 7.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.451 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.0 t -138.76 140.52 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.592 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.562 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 82.2 p -71.25 160.95 31.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.008 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.16 153.54 45.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.673 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.18 163.23 38.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.466 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.402 HG22 ' N ' ' B' ' 48' ' ' SER . 1.0 OUTLIER -123.41 -53.29 1.81 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.574 -179.719 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.402 ' N ' HG22 ' B' ' 47' ' ' THR . 70.8 m -133.59 135.72 44.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.959 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 104.88 78.4 1.22 Allowed Glycine 0 C--O 1.222 -0.616 0 C-N-CA 120.321 -0.942 . . . . 0.0 111.965 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' B' ' 49' ' ' GLY . 66.3 m-85 29.96 68.9 0.09 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.0 95.02 0.33 Allowed Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.91 96.37 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.884 0.374 . . . . 0.0 110.09 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.81 147.73 15.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.328 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -120.75 135.25 55.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.88 131.28 47.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.408 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.99 -42.07 5.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.94 0.4 . . . . 0.0 110.265 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.1 96.7 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.31 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -90.15 77.21 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.766 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.72 -165.13 50.72 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.42 -35.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 110.523 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 43.5 t -131.87 148.51 52.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.543 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.62 56.34 5.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.48 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.45 128.88 47.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.559 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 50.9 m -132.3 136.93 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.2 -160.31 1.66 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -55.73 7.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.697 0.284 . . . . 0.0 111.022 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.03 -92.41 0.99 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -115.43 130.87 57.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.37 . . . . 0.0 110.496 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.84 129.9 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.568 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' SER . . . . . 0.446 ' O ' HG23 ' C' ' 71' ' ' THR . 23.7 p -109.89 141.54 42.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.534 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' THR . . . . . 0.446 ' C ' ' OG1' ' C' ' 71' ' ' THR . 53.1 p -93.0 162.81 27.59 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.467 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -89.01 106.75 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 123.22 2.613 . . . . 0.0 113.892 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -57.43 158.89 5.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.792 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.65 -97.55 1.47 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.464 ' CE2' HG23 ' B' ' 78' ' ' THR . 0.1 OUTLIER -123.21 41.35 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.401 . . . . 0.0 110.658 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.96 136.28 51.0 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.75 89.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 110.218 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.464 HG23 ' CE2' ' B' ' 75' ' ' TYR . 66.1 m -101.06 104.37 15.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.3 -144.03 11.81 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.8 71.85 0.51 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -53.66 134.36 41.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.813 0.339 . . . . 0.0 110.938 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.81 -47.18 0.58 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.47 131.38 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 73.0 m -134.73 91.84 2.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.632 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.41 -87.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 72.6 p -163.4 -176.12 4.58 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.885 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.46 148.22 7.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.49 130.55 52.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.795 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.21 161.59 8.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.873 0.368 . . . . 0.0 111.179 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.456 ' HG ' ' HD1' ' B' ' 91' ' ' TYR . 87.8 p -162.95 -174.64 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.736 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' TYR . . . . . 0.456 ' HD1' ' HG ' ' B' ' 90' ' ' SER . 66.6 m-85 57.77 72.37 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.055 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.85 52.2 0.58 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.35 171.12 9.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.632 0.254 . . . . 0.0 110.503 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.76 158.74 9.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.46 178.46 7.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.488 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -138.55 140.58 39.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.711 0.291 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.17 160.89 32.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.991 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -141.08 153.59 45.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.658 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.13 163.13 39.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' THR . . . . . 0.403 HG22 ' N ' ' C' ' 48' ' ' SER . 1.0 OUTLIER -123.36 -53.29 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.627 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 48' ' ' SER . . . . . 0.403 ' N ' HG22 ' C' ' 47' ' ' THR . 71.7 m -133.69 135.76 44.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.935 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 104.84 78.51 1.23 Allowed Glycine 0 C--O 1.222 -0.644 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.922 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' C' ' 49' ' ' GLY . 66.1 m-85 29.79 69.06 0.09 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.01 94.98 0.33 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.84 96.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.921 0.391 . . . . 0.0 110.064 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -160.93 147.68 15.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.315 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -120.78 135.24 55.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.743 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -128.89 131.26 47.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.359 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -103.0 -42.04 5.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.25 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -153.08 96.65 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.288 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.13 77.21 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.767 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.79 -165.02 50.97 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -142.52 -35.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.596 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -131.96 148.56 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.513 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 56.61 56.4 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.459 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -101.46 129.02 47.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.497 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 51.2 m -132.44 136.93 47.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.26 -160.37 1.7 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.99 -55.82 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.637 0.256 . . . . 0.0 110.935 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.01 -92.32 0.98 Allowed Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.45 130.93 57.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.888 0.375 . . . . 0.0 110.468 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.83 4.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.555 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 70' ' ' SER . . . . . 0.446 ' O ' HG23 ' D' ' 71' ' ' THR . 23.9 p -109.88 141.62 42.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.577 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.447 ' C ' ' OG1' ' D' ' 71' ' ' THR . 50.2 p -93.16 163.05 26.59 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.376 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -89.14 106.62 0.42 Allowed 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 123.187 2.591 . . . . 0.0 114.003 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -57.27 158.97 4.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.76 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.63 -97.45 1.45 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 75' ' ' TYR . . . . . 0.469 ' CE2' HG23 ' C' ' 78' ' ' THR . 0.1 OUTLIER -123.32 41.12 3.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 110.626 -179.795 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.65 136.27 50.9 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.69 89.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.93 0.395 . . . . 0.0 110.191 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.469 HG23 ' CE2' ' C' ' 75' ' ' TYR . 66.9 m -101.23 104.58 15.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.44 -144.12 11.78 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.9 71.83 0.51 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -53.71 134.49 41.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.72 -47.14 0.58 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.49 131.44 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.894 0.378 . . . . 0.0 110.824 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -134.77 91.84 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.576 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -54.43 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.587 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 71.8 p -163.25 -175.9 4.52 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.97 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.63 148.27 7.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.57 130.51 52.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.787 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.17 161.58 8.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 90' ' ' SER . . . . . 0.454 ' HG ' ' HD1' ' C' ' 91' ' ' TYR . 87.5 p -162.96 -174.7 4.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.654 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 91' ' ' TYR . . . . . 0.454 ' HD1' ' HG ' ' C' ' 90' ' ' SER . 67.3 m-85 57.8 72.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.185 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.81 52.21 0.58 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.31 171.22 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.662 0.268 . . . . 0.0 110.531 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.88 158.7 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.41 178.45 7.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.542 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 48.0 t -138.6 140.59 39.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.489 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.601 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.829 0.347 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 82.5 p -71.23 160.97 31.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -141.15 153.56 45.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.701 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -150.14 163.19 38.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 47' ' ' THR . . . . . 0.412 HG22 ' N ' ' D' ' 48' ' ' SER . 1.0 OUTLIER -123.41 -53.46 1.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.527 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 48' ' ' SER . . . . . 0.412 ' N ' HG22 ' D' ' 47' ' ' THR . 71.0 m -133.45 135.76 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.055 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 104.81 78.59 1.24 Allowed Glycine 0 C--O 1.221 -0.676 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.918 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 50' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' E' ' 49' ' ' GLY . 65.7 m-85 29.83 68.99 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.16 95.08 0.34 Allowed Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 66.87 96.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.828 0.347 . . . . 0.0 110.101 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 33.4 t -160.88 147.69 15.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.303 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 39.7 t -120.72 135.27 55.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.778 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.87 131.24 47.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.374 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.99 -42.01 5.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.325 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.07 96.66 2.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.339 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.13 77.1 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.722 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.82 -164.95 51.1 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.53 -35.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.613 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 43.6 t -131.86 148.48 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.633 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.73 56.3 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.383 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.45 128.96 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.511 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 49.6 m -132.64 136.77 46.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.02 -160.37 1.58 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.08 -55.47 8.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.665 0.269 . . . . 0.0 110.981 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.73 -92.26 0.99 Allowed Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -115.43 130.7 56.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.771 0.32 . . . . 0.0 110.58 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.75 129.9 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 70' ' ' SER . . . . . 0.445 ' O ' HG23 ' E' ' 71' ' ' THR . 24.0 p -109.95 141.64 42.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.517 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 71' ' ' THR . . . . . 0.447 ' C ' ' OG1' ' E' ' 71' ' ' THR . 50.1 p -93.11 163.01 26.82 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 72' ' ' PRO . . . . . 0.4 ' HB3' ' C ' ' E' ' 72' ' ' PRO . 58.2 Cg_endo -89.1 106.68 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 123.211 2.607 . . . . 0.0 114.04 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.31 158.99 4.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.65 -97.47 1.45 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 75' ' ' TYR . . . . . 0.468 ' CE2' HG23 ' D' ' 78' ' ' THR . 0.1 OUTLIER -123.28 41.04 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.714 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.62 136.36 50.81 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.77 89.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 0.0 110.109 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 78' ' ' THR . . . . . 0.468 HG23 ' CE2' ' D' ' 75' ' ' TYR . 63.9 m -100.9 104.41 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.43 -144.34 11.93 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.98 71.89 0.51 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -53.78 134.52 42.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.67 -47.07 0.58 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.45 131.44 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 72.8 m -134.75 91.88 2.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.623 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -54.51 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.603 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 69.6 p -163.21 -176.06 4.62 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.992 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.59 148.17 7.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.608 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.52 130.5 52.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.772 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.18 161.55 8.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.04 0.447 . . . . 0.0 111.078 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 90' ' ' SER . . . . . 0.452 ' HG ' ' HD1' ' D' ' 91' ' ' TYR . 88.0 p -162.94 -174.5 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.655 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 91' ' ' TYR . . . . . 0.452 ' HD1' ' HG ' ' D' ' 90' ' ' SER . 67.0 m-85 57.47 72.75 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.16 52.31 0.57 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.42 171.2 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.502 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.79 158.76 9.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.84 0.353 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.4 178.43 7.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.5 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.54 140.57 39.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.629 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.79 0.329 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 82.3 p -71.24 160.61 32.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -141.03 153.66 45.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.634 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -149.94 163.09 39.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.625 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 47' ' ' THR . . . . . 0.444 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -124.2 -50.55 1.79 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 119.311 -0.956 . . . . 0.0 112.643 178.032 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 48' ' ' SER . . . . . 0.444 ' N ' HG22 ' E' ' 47' ' ' THR . 66.8 m -131.06 134.05 46.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 119.257 -0.401 . . . . 0.0 112.025 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 49' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 107.93 72.14 0.76 Allowed Glycine 0 C--O 1.216 -1.019 0 C-N-CA 117.921 -2.085 . . . . 0.0 113.209 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 50' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' E' ' 49' ' ' GLY . 70.5 m-85 29.0 74.77 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.406 0.622 . . . . 0.0 110.64 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.35 92.79 0.42 Allowed Glycine 0 C--N 1.323 -0.145 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 67.88 96.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.04 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 33.4 t -160.83 147.81 15.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.66 135.47 55.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.606 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -128.92 131.41 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.531 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 3.2 m -103.0 -42.08 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.392 . . . . 0.0 110.223 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 46.5 t -153.14 96.74 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.255 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -90.22 77.11 6.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.762 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.79 -165.1 50.89 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.39 -35.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.598 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 43.3 t -131.9 148.55 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.31 56.88 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.426 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.81 129.2 47.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 49.9 m -132.58 136.77 46.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.43 -161.97 1.64 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -56.36 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.62 0.247 . . . . 0.0 110.967 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.35 -92.25 0.96 Allowed Glycine 0 N--CA 1.464 0.565 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -115.48 130.63 56.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.786 0.327 . . . . 0.0 110.476 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.64 130.44 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.439 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 70' ' ' SER . . . . . 0.419 ' O ' HG23 ' F' ' 71' ' ' THR . 22.2 p -110.27 141.85 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.034 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 71' ' ' THR . . . . . 0.447 ' OG1' ' C ' ' D' ' 71' ' ' THR . 56.2 p -92.54 163.14 27.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 O-C-N 125.529 1.768 . . . . 0.0 110.874 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 72' ' ' PRO . . . . . 0.4 ' C ' ' HB3' ' D' ' 72' ' ' PRO . 62.4 Cg_endo -89.73 108.53 0.41 Allowed 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.516 2.144 . . . . 0.0 113.669 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -58.17 158.8 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.712 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.23 -96.02 1.3 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 75' ' ' TYR . . . . . 0.474 ' CE2' HG23 ' E' ' 78' ' ' THR . 0.1 OUTLIER -123.77 41.31 3.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.807 179.62 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.86 136.41 50.85 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.39 90.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.948 0.404 . . . . 0.0 110.267 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 78' ' ' THR . . . . . 0.474 HG23 ' CE2' ' E' ' 75' ' ' TYR . 70.1 m -101.7 104.75 15.58 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.425 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.53 -144.23 11.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.36 72.82 0.37 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -54.56 134.42 46.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.966 0.412 . . . . 0.0 110.779 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.75 -44.54 0.65 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 169.76 131.63 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.077 0.465 . . . . 0.0 110.643 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -134.81 91.61 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.535 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -54.65 -86.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.628 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 70.0 p -163.24 -176.47 4.82 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 121.803 0.811 . . . . 0.0 112.077 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.06 148.66 8.53 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.684 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.55 130.17 51.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.07 161.05 8.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.934 0.397 . . . . 0.0 111.263 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 90' ' ' SER . . . . . 0.441 ' HG ' ' HD1' ' E' ' 91' ' ' TYR . 87.1 p -162.6 -174.45 3.99 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.8 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 91' ' ' TYR . . . . . 0.441 ' HD1' ' HG ' ' E' ' 90' ' ' SER . 68.4 m-85 57.47 72.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.472 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.2 52.86 0.56 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.71 170.95 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.606 0.241 . . . . 0.0 110.433 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.56 158.54 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 85.0 p -163.94 179.11 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.596 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.77 140.72 38.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.594 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.801 0.334 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 82.5 p -71.29 161.02 31.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.946 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 13.7 t -141.27 153.49 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -150.07 163.1 39.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 47' ' ' THR . . . . . 0.419 HG22 ' N ' ' F' ' 48' ' ' SER . 1.0 OUTLIER -123.26 -53.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.576 -179.716 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 48' ' ' SER . . . . . 0.419 ' N ' HG22 ' F' ' 47' ' ' THR . 71.5 m -133.54 135.84 44.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.99 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 104.71 78.93 1.27 Allowed Glycine 0 C--O 1.221 -0.675 0 C-N-CA 120.323 -0.941 . . . . 0.0 111.926 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 50' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' F' ' 49' ' ' GLY . 64.6 m-85 29.43 69.13 0.08 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.16 94.96 0.33 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.91 96.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 110.055 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.94 147.77 15.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.253 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 39.6 t -120.8 135.11 55.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.795 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 55' ' ' TYR . . . . . 0.402 ' HH ' ' HD2' ' F' ' 50' ' ' TYR . 93.6 m-85 -128.79 131.22 47.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.425 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.94 -42.05 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.287 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.17 96.83 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.262 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.3 77.2 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.7 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.75 -165.04 50.87 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.45 -35.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.601 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.85 148.54 52.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.66 56.33 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -101.41 129.0 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 51.1 m -132.39 137.12 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.37 -160.26 1.73 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -55.92 7.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 0.0 110.966 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.14 -92.38 0.98 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.4 131.05 57.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.903 0.382 . . . . 0.0 110.366 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.99 129.8 4.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 70' ' ' SER . . . . . 0.448 ' O ' HG23 ' G' ' 71' ' ' THR . 24.0 p -109.9 141.56 42.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.515 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 71' ' ' THR . . . . . 0.447 ' OG1' ' C ' ' E' ' 71' ' ' THR . 50.0 p -93.18 163.08 26.43 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.403 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -89.2 106.6 0.42 Allowed 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 123.121 2.547 . . . . 0.0 113.999 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.23 159.05 4.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.759 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.48 -97.65 1.49 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 75' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' F' ' 78' ' ' THR . 0.1 OUTLIER -122.72 40.83 3.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.704 -179.867 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.61 136.28 50.88 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.65 89.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.191 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 78' ' ' THR . . . . . 0.467 HG23 ' CE2' ' F' ' 75' ' ' TYR . 68.8 m -101.11 104.47 15.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.32 -144.13 11.86 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 71.84 0.51 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.71 134.49 41.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.72 -47.03 0.58 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.33 131.37 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.853 0.359 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.75 91.91 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.602 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.53 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.582 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 70.9 p -163.25 -176.05 4.59 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.01 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -165.55 148.24 7.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.528 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.47 130.47 52.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.2 161.55 8.42 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 90' ' ' SER . . . . . 0.441 ' HG ' ' HD1' ' F' ' 91' ' ' TYR . 87.4 p -162.91 -174.63 3.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.702 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 91' ' ' TYR . . . . . 0.441 ' HD1' ' HG ' ' F' ' 90' ' ' SER . 67.3 m-85 57.91 71.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.334 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.58 52.31 0.58 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.38 171.13 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.64 0.257 . . . . 0.0 110.437 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.79 158.72 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 84.6 p -164.45 178.47 7.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.56 140.6 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.499 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.57 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.798 0.332 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.27 160.95 31.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.009 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.09 153.52 45.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.613 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -150.12 163.17 38.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.578 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 47' ' ' THR . . . . . 0.422 HG22 ' N ' ' G' ' 48' ' ' SER . 1.0 OUTLIER -123.36 -53.46 1.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.615 -179.753 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 48' ' ' SER . . . . . 0.422 ' N ' HG22 ' G' ' 47' ' ' THR . 71.5 m -133.55 135.87 44.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.918 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 104.73 78.59 1.24 Allowed Glycine 0 C--O 1.221 -0.665 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.958 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' G' ' 49' ' ' GLY . 65.1 m-85 29.78 69.05 0.09 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.1 95.08 0.34 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 66.86 96.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.073 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.89 147.76 15.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.286 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -120.8 135.08 55.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.758 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.71 131.34 47.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.445 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -103.0 -42.05 5.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.303 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -153.15 96.81 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.265 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -90.17 77.17 6.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.69 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.73 -165.06 50.82 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.41 -35.55 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 110.587 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.88 148.5 52.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.589 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.7 56.33 5.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.404 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.4 128.96 47.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.599 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 50.6 m -132.45 136.91 47.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.15 -160.31 1.63 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.09 -55.78 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.974 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.06 -92.4 0.99 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.36 130.82 57.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.867 0.365 . . . . 0.0 110.407 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.86 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.633 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 70' ' ' SER . . . . . 0.446 ' O ' HG23 ' H' ' 71' ' ' THR . 23.8 p -109.85 141.64 42.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.552 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 71' ' ' THR . . . . . 0.448 HG23 ' O ' ' F' ' 70' ' ' SER . 51.1 p -93.16 163.08 26.44 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -89.12 106.46 0.42 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 123.192 2.594 . . . . 0.0 113.982 -176.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -57.09 159.02 4.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.56 -97.48 1.46 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 75' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' G' ' 78' ' ' THR . 0.1 OUTLIER -123.27 41.0 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.994 0.426 . . . . 0.0 110.698 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.63 136.32 50.85 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.74 89.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.974 0.416 . . . . 0.0 110.26 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 78' ' ' THR . . . . . 0.467 HG23 ' CE2' ' G' ' 75' ' ' TYR . 68.1 m -101.03 104.35 15.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.634 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.2 -144.19 11.96 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.92 71.76 0.52 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.62 134.51 41.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.904 0.383 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.7 -47.21 0.58 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.46 131.37 0.02 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 72.5 m -134.71 91.82 2.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.714 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.5 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 72.6 p -163.28 -175.96 4.54 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.92 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.64 148.17 7.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.567 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.48 130.6 52.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.24 161.57 8.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.931 0.396 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 90' ' ' SER . . . . . 0.443 ' HG ' ' HD1' ' G' ' 91' ' ' TYR . 87.3 p -162.94 -174.68 4.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.649 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 91' ' ' TYR . . . . . 0.443 ' HD1' ' HG ' ' G' ' 90' ' ' SER . 66.8 m-85 57.8 72.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.141 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.8 52.21 0.58 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.37 171.21 9.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.657 0.265 . . . . 0.0 110.477 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.83 158.73 9.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 111.054 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 84.5 p -164.44 178.49 7.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.498 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -138.59 140.62 39.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.446 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.61 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.795 0.331 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 82.1 p -71.25 160.94 31.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.057 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.13 153.52 45.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.05 163.18 38.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.564 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 47' ' ' THR . . . . . 0.424 HG22 ' N ' ' H' ' 48' ' ' SER . 1.0 OUTLIER -123.34 -53.49 1.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.586 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' H' H ' 48' ' ' SER . . . . . 0.424 ' N ' HG22 ' H' ' 47' ' ' THR . 71.2 m -133.44 135.76 44.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.971 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 104.87 78.62 1.24 Allowed Glycine 0 C--O 1.223 -0.571 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.933 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' H' ' 49' ' ' GLY . 65.7 m-85 29.79 68.91 0.09 Allowed 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.01 95.08 0.33 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.336 -1.105 . . . . 0.0 110.336 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 66.87 96.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 0.0 110.143 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 33.6 t -160.86 147.82 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.263 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -120.85 135.2 55.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.765 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.74 131.25 47.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.486 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 3.2 m -102.92 -42.02 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -153.24 96.75 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.282 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.19 77.06 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.729 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.76 -165.1 50.83 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.42 -35.51 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 110.562 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -131.94 148.49 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.537 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.71 56.25 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.474 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.39 128.93 47.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.628 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 50.3 m -132.4 137.03 47.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.25 -160.26 1.67 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.12 -55.76 7.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.655 0.264 . . . . 0.0 111.0 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.02 -92.41 0.99 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -115.37 130.95 57.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.804 0.335 . . . . 0.0 110.415 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.87 4.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.569 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 70' ' ' SER . . . . . 0.434 ' O ' HG23 ' I' ' 71' ' ' THR . 24.1 p -110.02 141.51 42.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.486 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 71' ' ' THR . . . . . 0.446 HG23 ' O ' ' G' ' 70' ' ' SER . 49.8 p -93.12 163.08 26.53 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -88.98 106.45 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 123.205 2.603 . . . . 0.0 114.073 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.12 159.07 4.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.792 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.6 -97.57 1.47 Allowed Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 75' ' ' TYR . . . . . 0.469 ' CE2' HG23 ' H' ' 78' ' ' THR . 0.1 OUTLIER -122.96 40.71 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.733 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.43 136.27 50.82 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.82 89.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.912 0.387 . . . . 0.0 110.107 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 78' ' ' THR . . . . . 0.469 HG23 ' CE2' ' H' ' 75' ' ' TYR . 68.1 m -101.01 104.45 15.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.604 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.29 -144.16 11.89 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.96 71.96 0.5 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.86 134.5 42.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.964 0.411 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.77 -47.14 0.58 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 172.44 131.46 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.74 91.89 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.587 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -54.56 -87.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.559 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 72.8 p -163.22 -175.9 4.53 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.907 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.71 148.18 7.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.39 130.53 52.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.31 161.56 8.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.9 0.381 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 90' ' ' SER . . . . . 0.443 ' HG ' ' HD1' ' H' ' 91' ' ' TYR . 87.4 p -162.9 -174.66 4.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.712 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 91' ' ' TYR . . . . . 0.443 ' HD1' ' HG ' ' H' ' 90' ' ' SER . 67.2 m-85 57.77 72.21 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.182 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.85 52.08 0.58 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.27 171.24 9.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.681 0.277 . . . . 0.0 110.479 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.8 158.81 9.23 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.019 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.51 178.43 7.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 47.8 t -138.55 140.66 39.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.456 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.569 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.772 0.32 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.17 161.11 31.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -141.41 153.28 44.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.696 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -150.27 162.27 40.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.596 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 47' ' ' THR . . . . . 0.427 HG22 ' N ' ' I' ' 48' ' ' SER . 1.0 OUTLIER -122.76 -54.03 1.86 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.536 -179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 48' ' ' SER . . . . . 0.427 ' N ' HG22 ' I' ' 47' ' ' THR . 72.2 m -132.84 135.89 45.91 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.033 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 104.99 78.55 1.23 Allowed Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.851 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' I' ' 49' ' ' GLY . 64.8 m-85 29.77 70.31 0.07 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.12 95.15 0.41 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 66.81 95.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.39 . . . . 0.0 110.137 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.15 148.0 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.357 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.83 135.14 55.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.763 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -128.78 131.27 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.478 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 3.3 m -102.98 -42.02 5.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -153.24 96.83 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.276 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.22 77.15 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.659 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.63 -165.08 50.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.36 -35.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.637 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.84 148.51 52.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 56.59 56.38 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.505 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.46 129.0 47.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.565 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 49.5 m -132.39 137.07 47.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.44 -160.15 1.74 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.26 -55.66 8.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.516 0.198 . . . . 0.0 110.942 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.04 -92.46 0.99 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 30.8 p -115.21 131.14 57.02 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.402 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -162.01 129.94 4.07 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.446 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 26.1 p -110.21 140.97 43.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.449 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 71' ' ' THR . . . . . 0.434 HG23 ' O ' ' H' ' 70' ' ' SER . 46.6 p -91.82 164.77 22.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -89.98 107.02 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 123.158 2.572 . . . . 0.0 113.989 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -57.6 158.85 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.827 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.26 -97.35 1.39 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 75' ' ' TYR . . . . . 0.473 ' CE2' HG23 ' I' ' 78' ' ' THR . 0.1 OUTLIER -122.66 39.29 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.72 0.295 . . . . 0.0 110.745 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.15 136.51 48.36 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.66 89.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 110.167 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 78' ' ' THR . . . . . 0.473 HG23 ' CE2' ' I' ' 75' ' ' TYR . 67.3 m -100.84 104.35 15.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.739 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.24 -143.91 11.77 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.89 72.01 0.49 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -53.9 134.95 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.043 0.449 . . . . 0.0 110.739 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.59 -46.91 0.59 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.37 131.46 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.77 91.99 2.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.544 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -54.33 -86.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.645 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 76.1 p -163.46 -175.97 4.48 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.213 -0.595 . . . . 0.0 111.532 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.69 148.44 7.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.58 130.69 52.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.733 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.39 161.46 8.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.923 0.392 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 90' ' ' SER . . . . . 0.452 ' HG ' ' HD1' ' I' ' 91' ' ' TYR . 87.4 p -162.9 -174.65 4.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.567 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 91' ' ' TYR . . . . . 0.452 ' HD1' ' HG ' ' I' ' 90' ' ' SER . 69.2 m-85 57.49 71.85 0.55 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.332 0.587 . . . . 0.0 111.455 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.77 51.71 0.59 Allowed Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.36 171.25 9.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.627 0.251 . . . . 0.0 110.412 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.75 158.84 9.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.05 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 85.0 p -164.45 178.41 7.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.483 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 47.5 t -138.62 140.65 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.425 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.551 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.906 0.384 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.9 m -129.33 146.0 51.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -122.47 126.59 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.638 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -140.65 142.86 34.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.093 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.22 -51.38 1.76 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.544 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.6 t -136.42 140.95 43.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.148 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.87 74.55 1.22 Allowed Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.519 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 37.02 70.42 0.17 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.29 95.12 0.5 Allowed Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 67.48 88.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.42 147.53 15.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.649 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.36 146.07 51.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.415 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.81 40.5 20.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.46 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.28 -37.53 77.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.631 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -132.04 144.76 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.31 54.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.28 149.3 42.12 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -109.57 17.01 21.8 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.054 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -61.13 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.746 0.308 . . . . 0.0 110.577 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.84 126.91 53.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -133.39 105.19 6.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.4 m -114.08 130.73 56.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.636 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.04 -161.22 0.9 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.34 -58.77 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.834 0.35 . . . . 0.0 110.826 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.4 -99.57 1.25 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.64 121.38 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.026 0.441 . . . . 0.0 110.772 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.48 133.99 1.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.791 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.0 t -105.68 124.94 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.546 HG22 ' HD2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -77.62 170.08 17.98 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.065 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.546 ' HD2' HG22 ' A' ' 71' ' ' THR . 53.2 Cg_exo -54.22 105.58 0.14 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.253 1.969 . . . . 0.0 112.533 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -63.59 111.84 2.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.05 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.46 121.05 0.34 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.1 t80 58.64 83.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.143 0.497 . . . . 0.0 111.092 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.99 -89.96 0.08 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -141.53 161.09 38.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 111.196 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.19 104.88 3.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.34 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.61 84.83 0.38 Allowed Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.28 -128.5 2.39 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -89.72 51.6 2.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.77 0.319 . . . . 0.0 110.732 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.99 -132.25 48.96 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m 41.02 51.05 3.25 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.153 0.502 . . . . 0.0 110.445 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 p -111.65 83.39 1.77 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.841 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.11 124.06 26.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.675 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.65 -175.01 4.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.942 0.401 . . . . 0.0 111.027 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -154.19 140.42 18.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.314 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.27 -173.48 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.929 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.3 p -151.33 161.28 42.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.33 113.93 15.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.678 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -129.16 100.43 5.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.049 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.79 53.25 0.56 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.682 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.65 114.47 26.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.612 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.92 133.59 22.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.81 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -125.06 127.3 46.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.481 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.19 -165.73 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.688 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.491 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.916 0.389 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.29 145.96 51.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.513 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -122.59 126.28 47.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.695 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.27 142.5 35.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.253 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.39 -51.4 1.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.423 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -136.17 141.48 44.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.14 76.35 1.32 Allowed Glycine 0 C--O 1.223 -0.544 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.181 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.24 70.99 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.79 95.17 0.54 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 67.6 88.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.45 147.48 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.71 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.35 146.06 51.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 49.73 40.54 20.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.522 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.32 -37.46 77.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.608 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.0 m -132.09 144.85 51.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.48 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -146.41 54.31 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.25 149.21 42.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -109.59 17.18 21.61 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.798 0.332 . . . . 0.0 110.574 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.8 126.95 53.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.38 105.15 6.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -113.95 130.9 56.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.13 -161.1 0.9 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.57 -58.72 3.54 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.756 0.312 . . . . 0.0 110.819 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.55 -99.75 1.26 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.4 121.41 44.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.775 0.321 . . . . 0.0 110.765 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.54 133.15 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.826 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.77 124.98 50.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.711 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' THR . . . . . 0.553 HG22 ' HD2' ' B' ' 72' ' ' PRO . 0.1 OUTLIER -77.64 169.9 18.82 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.044 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 72' ' ' PRO . . . . . 0.553 ' HD2' HG22 ' B' ' 71' ' ' THR . 52.3 Cg_exo -54.23 103.67 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.432 2.088 . . . . 0.0 112.809 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.48 112.24 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.296 0.373 . . . . 0.0 110.455 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.4 121.06 0.33 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.84 83.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.411 . . . . 0.0 110.969 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.97 -89.89 0.08 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 55.2 m -141.28 161.32 38.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 111.19 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.26 104.16 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.524 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.06 85.01 0.38 Allowed Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.46 -128.52 2.38 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -89.86 52.31 2.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.921 0.391 . . . . 0.0 110.644 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.35 -132.22 50.08 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.87 51.24 3.15 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.303 0.573 . . . . 0.0 110.555 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.58 83.42 1.78 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.751 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.19 123.36 25.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.773 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.9 -175.0 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -154.09 140.44 18.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.375 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.23 -173.44 0.92 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.057 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 94.9 p -151.4 161.29 42.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.751 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.96 15.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.694 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -129.5 100.64 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.04 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.62 53.61 0.55 Allowed Glycine 0 CA--C 1.526 0.75 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.681 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.76 114.43 26.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.56 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.94 133.57 22.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 70.2 m -124.99 127.3 46.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.543 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.19 -165.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.711 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 58.8 t80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.447 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.862 0.363 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.21 145.94 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -122.55 126.21 47.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.727 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.23 142.37 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.288 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.26 -51.35 1.76 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.542 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -136.27 141.48 43.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 111.123 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.06 76.53 1.33 Allowed Glycine 0 C--O 1.224 -0.515 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.262 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 34.98 71.09 0.12 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.86 95.15 0.54 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 67.64 88.42 0.11 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.849 0.357 . . . . 0.0 110.045 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.44 147.37 15.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.707 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.26 146.18 51.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.472 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.7 40.42 19.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 89.4 p -59.13 -37.57 77.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.628 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.9 m -132.04 144.88 51.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.453 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -146.34 54.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.655 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.17 149.23 42.19 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.48 17.08 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.59 -61.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.502 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.73 126.97 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.539 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.46 105.16 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 94.6 m -113.96 130.81 56.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.02 -161.17 0.89 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.51 -58.8 3.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.694 0.283 . . . . 0.0 110.73 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.58 -99.7 1.26 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.43 121.42 44.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.778 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -168.58 133.12 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.857 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.7 125.04 50.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.729 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.555 HG22 ' HD2' ' C' ' 72' ' ' PRO . 0.1 OUTLIER -77.69 169.92 18.75 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.056 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 72' ' ' PRO . . . . . 0.555 ' HD2' HG22 ' C' ' 71' ' ' THR . 52.1 Cg_exo -54.24 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.476 2.118 . . . . 0.0 112.78 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.31 112.16 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.818 0.342 . . . . 0.0 110.497 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.52 121.05 0.34 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.72 83.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.012 0.434 . . . . 0.0 110.897 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.02 -89.8 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 54.3 m -141.3 161.37 38.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.161 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.31 104.18 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.55 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.04 85.0 0.38 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.5 -128.5 2.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -89.86 52.44 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.397 . . . . 0.0 110.647 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.38 -132.35 50.07 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.88 51.3 3.17 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.268 0.556 . . . . 0.0 110.556 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.65 83.52 1.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.747 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.28 123.27 25.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.81 -174.87 4.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 110.991 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -154.17 140.38 18.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.45 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.809 -0.357 . . . . 0.0 111.09 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -151.35 161.28 42.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.702 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.88 15.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.667 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -129.43 100.81 5.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.092 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.47 53.64 0.56 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.628 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.73 114.47 26.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.78 0.324 . . . . 0.0 110.547 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.98 133.59 22.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.806 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 70.7 m -125.08 127.39 46.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.454 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.0 -165.7 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.721 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.53 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.824 0.345 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -129.36 146.05 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.0 m -122.67 126.12 46.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.811 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.18 142.51 35.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.204 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.4 -51.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.34 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -135.97 141.61 44.45 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.278 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.95 76.52 1.33 Allowed Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.327 -0.94 . . . . 0.0 112.237 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.03 71.09 0.12 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.83 95.14 0.54 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 67.57 88.42 0.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.827 0.346 . . . . 0.0 110.128 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 47.2 t -160.45 147.4 15.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.715 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 89.5 p -132.31 146.06 51.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.78 40.47 20.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.559 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.31 -37.38 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.656 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.4 m -132.11 144.71 50.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.524 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.25 54.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.16 149.23 42.21 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.55 17.06 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.54 -61.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.815 0.34 . . . . 0.0 110.539 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.78 126.91 53.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.4 105.18 6.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -113.98 130.78 56.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.12 -161.16 0.91 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -58.77 3.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.668 0.271 . . . . 0.0 110.704 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.46 -99.69 1.26 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.4 121.41 44.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.779 0.324 . . . . 0.0 110.784 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.54 133.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.864 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.72 125.08 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.751 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 71' ' ' THR . . . . . 0.555 HG22 ' HD2' ' D' ' 72' ' ' PRO . 0.1 OUTLIER -77.81 169.9 18.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.075 179.821 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 72' ' ' PRO . . . . . 0.555 ' HD2' HG22 ' D' ' 71' ' ' THR . 52.4 Cg_exo -54.17 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.487 2.125 . . . . 0.0 112.817 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.29 112.28 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.306 0.379 . . . . 0.0 110.474 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.36 121.02 0.33 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.78 83.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.99 0.424 . . . . 0.0 110.974 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.02 -89.83 0.08 OUTLIER Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -141.34 161.42 37.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.899 0.38 . . . . 0.0 111.152 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.34 104.26 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.8 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.18 85.15 0.39 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.58 -128.51 2.36 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.99 52.58 2.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.928 0.394 . . . . 0.0 110.64 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.24 -132.25 50.28 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.84 51.3 3.14 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.292 0.568 . . . . 0.0 110.545 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.62 83.45 1.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.721 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.21 123.32 25.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.774 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.84 -175.03 4.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 111.027 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -153.95 140.4 18.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.377 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.47 0.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.019 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 94.8 p -151.33 161.29 42.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.745 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.82 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.687 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -129.55 100.79 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.049 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.52 53.69 0.56 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.635 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.71 114.43 26.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.74 0.305 . . . . 0.0 110.528 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.97 133.56 22.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.745 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -125.04 127.41 46.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.08 -165.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.448 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.879 0.371 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 75.3 m -129.2 145.96 51.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.561 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -122.56 126.35 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.694 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -139.92 142.62 36.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.18 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 47' ' ' THR . . . . . 0.423 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -125.02 -49.58 1.71 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 119.173 -1.011 . . . . 0.0 112.511 177.777 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 48' ' ' SER . . . . . 0.423 ' N ' HG22 ' E' ' 47' ' ' THR . 23.2 t -131.58 139.76 49.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.02 71.71 1.04 Allowed Glycine 0 C--O 1.217 -0.927 0 C-N-CA 118.084 -2.007 . . . . 0.0 112.885 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 33.45 76.01 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.455 0.645 . . . . 0.0 111.03 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.39 92.95 0.6 Allowed Glycine 0 CA--C 1.518 0.222 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 68.38 88.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.946 0.403 . . . . 0.0 110.004 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.48 147.42 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.729 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.26 146.19 51.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.42 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 49.77 40.5 20.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.447 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.32 -37.49 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.603 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -132.02 144.78 51.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.571 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -146.28 54.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.12 149.24 42.3 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.57 17.1 21.71 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.58 -61.18 0.09 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.763 0.316 . . . . 0.0 110.586 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.85 126.61 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.1 104.82 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.744 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -113.83 130.75 56.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.61 -162.15 0.9 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -59.06 3.05 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.664 0.269 . . . . 0.0 110.74 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.64 -99.26 1.2 Allowed Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.66 121.08 43.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.749 0.309 . . . . 0.0 110.684 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -168.21 134.41 1.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.319 0.581 . . . . 0.0 110.686 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -106.15 126.75 52.6 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.125 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 71' ' ' THR . . . . . 0.553 HG22 ' HD2' ' E' ' 72' ' ' PRO . 0.1 OUTLIER -79.08 169.73 19.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 O-C-N 124.604 1.19 . . . . 0.0 109.778 -179.577 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 72' ' ' PRO . . . . . 0.553 ' HD2' HG22 ' E' ' 71' ' ' THR . 50.8 Cg_exo -55.57 107.9 0.28 Allowed 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.222 1.281 . . . . 0.0 111.778 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -64.19 114.09 3.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.912 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.85 119.95 0.26 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 4.0 t80 60.53 81.69 0.18 Allowed 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.328 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.4 -89.47 0.08 OUTLIER Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 56.5 m -141.45 161.28 38.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.079 0.466 . . . . 0.0 111.0 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.71 104.07 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.131 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.25 84.91 0.38 Allowed Glycine 0 CA--C 1.547 2.062 0 C-N-CA 120.379 -0.915 . . . . 0.0 111.726 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.53 -128.32 2.35 Favored Glycine 0 C--N 1.355 1.608 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -89.96 51.93 2.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.93 0.395 . . . . 0.0 111.27 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.3 -131.69 49.9 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 39.98 52.26 2.63 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 123.68 0.282 . . . . 0.0 110.464 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 3.7 p -112.42 83.14 1.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.117 0.885 . . . . 0.0 110.26 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.19 122.77 24.48 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-O 121.455 0.645 . . . . 0.0 110.811 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.1 -176.34 5.18 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.933 -0.48 . . . . 0.0 110.887 -178.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -153.36 140.37 19.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.32 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.37 0.91 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.003 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -150.89 161.77 42.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.61 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -129.2 113.65 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.867 0.73 . . . . 0.0 111.224 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -128.63 99.85 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.367 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.02 53.01 0.55 Allowed Glycine 0 CA--C 1.525 0.718 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.726 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.31 114.15 25.8 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.805 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.83 133.76 22.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.85 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -124.93 127.28 46.81 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.316 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.3 -165.73 0.17 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.049 0.843 . . . . 0.0 110.563 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.459 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.853 0.359 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.34 146.01 51.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -122.56 126.29 47.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.629 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -140.24 142.32 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.297 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.27 -51.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.439 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 26.8 t -136.02 141.6 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 111.189 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.88 76.85 1.34 Allowed Glycine 0 C--O 1.222 -0.599 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.123 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 34.66 71.25 0.11 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.87 95.11 0.54 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 67.61 88.31 0.11 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.848 0.356 . . . . 0.0 110.085 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.33 147.43 15.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.706 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.29 146.13 51.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 49.76 40.49 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.497 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.26 -37.51 77.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.638 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -132.01 144.76 51.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.521 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.3 54.25 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.614 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.05 149.19 42.34 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.48 17.0 21.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.575 0.226 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.737 0.303 . . . . 0.0 110.606 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -116.73 126.84 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.542 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.35 105.15 6.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -113.97 130.94 56.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.19 -161.12 0.93 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -58.83 3.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.735 0.303 . . . . 0.0 110.751 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.54 -99.72 1.26 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.38 121.56 45.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.705 0.288 . . . . 0.0 110.761 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.65 133.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.822 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.73 125.08 50.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.704 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 71' ' ' THR . . . . . 0.556 HG22 ' HD2' ' F' ' 72' ' ' PRO . 0.1 OUTLIER -77.78 169.93 18.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.036 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 72' ' ' PRO . . . . . 0.556 ' HD2' HG22 ' F' ' 71' ' ' THR . 51.9 Cg_exo -54.17 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.51 2.14 . . . . 0.0 112.814 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.2 112.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.246 0.341 . . . . 0.0 110.526 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.46 121.3 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.85 83.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.89 0.08 OUTLIER Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 55.4 m -141.27 161.34 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 111.119 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.3 104.19 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.48 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.07 85.07 0.39 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.5 -128.58 2.38 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.87 52.44 2.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.923 0.392 . . . . 0.0 110.611 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 -132.27 50.13 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.86 51.32 3.15 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 121.239 0.542 . . . . 0.0 110.57 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 3.8 p -111.75 83.54 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.606 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.25 123.26 25.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.759 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.82 -174.94 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 111.094 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.8 t -154.03 140.31 18.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.345 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.17 -173.44 0.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 94.7 p -151.33 161.33 42.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.763 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.82 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.673 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.45 100.78 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.041 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.48 53.75 0.56 Allowed Glycine 0 CA--C 1.526 0.762 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.614 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.7 114.39 26.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.729 0.299 . . . . 0.0 110.564 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.98 133.53 22.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.795 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 70.4 m -124.98 127.42 47.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.04 -165.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.658 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.473 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.89 0.376 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.28 145.98 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.525 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -122.53 126.21 47.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.686 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -140.26 142.46 35.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.22 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.41 -51.29 1.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.471 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 26.5 t -136.22 141.52 43.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.99 76.51 1.33 Allowed Glycine 0 C--O 1.222 -0.612 0 C-N-CA 120.329 -0.939 . . . . 0.0 112.172 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 35.16 71.07 0.12 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.89 95.16 0.54 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 67.58 88.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 47.1 t -160.41 147.42 15.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.702 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.29 146.15 51.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.78 40.45 20.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.25 -37.49 77.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -132.02 144.78 51.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.564 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.32 54.22 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.519 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.15 149.2 42.2 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -109.49 17.03 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.18 0.09 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.791 0.329 . . . . 0.0 110.573 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.72 126.91 53.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.569 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.39 105.17 6.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -113.97 130.92 56.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.23 -161.05 0.92 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.55 -58.8 3.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.62 0.248 . . . . 0.0 110.784 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.54 -99.69 1.26 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.45 121.43 44.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.726 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.59 133.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.828 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -104.79 125.09 50.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 71' ' ' THR . . . . . 0.559 HG22 ' HD2' ' G' ' 72' ' ' PRO . 0.1 OUTLIER -77.71 169.9 18.84 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.047 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 72' ' ' PRO . . . . . 0.559 ' HD2' HG22 ' G' ' 71' ' ' THR . 52.0 Cg_exo -54.15 103.39 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.547 2.165 . . . . 0.0 112.776 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.24 112.24 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.831 0.348 . . . . 0.0 110.547 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.56 121.0 0.35 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.73 83.72 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.391 . . . . 0.0 110.953 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.85 0.08 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 55.7 m -141.32 161.41 37.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.922 0.392 . . . . 0.0 111.093 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.32 104.09 3.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.508 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.08 85.17 0.39 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.54 -128.48 2.36 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.94 52.47 2.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 110.643 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 -132.27 50.13 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.81 51.37 3.12 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.282 0.563 . . . . 0.0 110.538 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 4.0 p -111.67 83.51 1.79 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.722 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.25 123.22 25.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.723 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.81 -174.94 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.07 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.2 t -154.06 140.32 18.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.324 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.1 -173.37 0.93 Allowed 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.043 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 95.4 p -151.37 161.32 42.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.7 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.25 113.93 15.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.67 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -129.49 100.79 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.45 53.67 0.56 Allowed Glycine 0 CA--C 1.526 0.777 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.677 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.71 114.43 26.41 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.597 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.97 133.56 22.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.747 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 70.5 m -125.02 127.41 46.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.461 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 5.5 t 58.13 -165.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 58.9 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.459 179.876 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.808 0.337 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -129.26 145.98 51.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -122.58 126.17 47.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.721 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -140.19 142.41 35.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.294 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.29 -51.4 1.76 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.483 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -136.24 141.45 43.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.231 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.2 76.46 1.32 Allowed Glycine 0 C--O 1.224 -0.513 0 C-N-CA 120.276 -0.964 . . . . 0.0 112.232 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.04 71.05 0.12 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.77 95.17 0.54 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 67.54 88.37 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.851 0.358 . . . . 0.0 110.096 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.37 147.37 15.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.693 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 89.7 p -132.29 146.15 51.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.444 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 49.75 40.54 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.489 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.41 -37.38 77.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.591 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -132.07 144.76 50.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.521 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.32 54.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.18 149.25 42.2 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.56 17.06 21.75 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.53 -61.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 0.0 110.575 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.88 126.85 53.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.37 105.25 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -114.07 130.9 56.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.15 -160.99 0.89 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.63 -58.77 3.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.659 0.266 . . . . 0.0 110.779 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.55 -99.72 1.26 Allowed Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.532 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.44 121.43 44.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.686 0.279 . . . . 0.0 110.818 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -168.56 133.26 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.76 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -104.84 125.14 50.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.693 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 71' ' ' THR . . . . . 0.559 HG22 ' HD2' ' H' ' 72' ' ' PRO . 0.1 OUTLIER -77.74 169.84 19.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.066 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 72' ' ' PRO . . . . . 0.559 ' HD2' HG22 ' H' ' 71' ' ' THR . 52.3 Cg_exo -54.21 103.41 0.09 OUTLIER 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.518 2.145 . . . . 0.0 112.754 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.32 112.25 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.909 0.385 . . . . 0.0 110.497 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.59 121.16 0.35 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.75 83.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.83 0.08 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 56.8 m -141.29 161.39 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 111.087 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.29 104.03 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.47 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.94 85.16 0.39 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.52 -128.55 2.37 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -90.04 52.66 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.57 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.19 -132.31 50.39 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.91 51.34 3.18 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.27 0.557 . . . . 0.0 110.545 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.71 83.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.709 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.24 123.26 25.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.72 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.85 -175.04 4.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 111.067 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -153.91 140.41 18.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.407 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.52 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.065 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -151.27 161.27 43.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.796 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.11 113.88 15.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.684 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.54 100.7 5.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.099 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.57 53.71 0.55 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.672 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.66 114.26 26.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.698 0.285 . . . . 0.0 110.617 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.9 133.66 22.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.768 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 70.6 m -125.13 127.39 46.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.432 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.11 -165.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.688 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 59.5 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.522 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.849 0.357 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -129.17 145.94 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.601 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.6 m -122.79 126.01 46.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.061 0.458 . . . . 0.0 110.683 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -140.28 141.46 35.8 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.7 -51.98 1.81 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.424 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 27.3 t -135.51 141.86 45.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.232 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.99 76.47 1.33 Allowed Glycine 0 C--O 1.224 -0.505 0 C-N-CA 120.276 -0.964 . . . . 0.0 112.208 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 34.86 72.54 0.09 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.98 94.93 0.63 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 67.6 87.8 0.12 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.871 0.367 . . . . 0.0 110.162 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -159.78 147.54 16.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.731 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.39 146.18 51.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.447 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 49.68 40.66 20.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.39 -37.54 78.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.613 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 58.5 m -131.98 144.83 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.485 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -146.44 54.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.27 149.31 42.15 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -109.62 17.08 21.69 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.52 -61.21 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.832 0.349 . . . . 0.0 110.576 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.67 126.93 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.53 105.19 6.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.598 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -113.84 131.0 56.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.513 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.27 -160.95 0.92 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.74 -58.77 3.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.493 0.187 . . . . 0.0 110.675 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.6 -99.83 1.27 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.555 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.37 121.46 44.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.599 0.238 . . . . 0.0 110.646 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -168.62 133.02 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.659 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 29.6 t -104.45 125.8 50.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.603 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 71' ' ' THR . . . . . 0.563 HG22 ' HD2' ' I' ' 72' ' ' PRO . 0.1 OUTLIER -78.41 169.92 18.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.827 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 72' ' ' PRO . . . . . 0.563 ' HD2' HG22 ' I' ' 71' ' ' THR . 52.0 Cg_exo -54.32 103.39 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.631 2.221 . . . . 0.0 112.52 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.18 112.6 2.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.789 0.328 . . . . 0.0 110.575 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.43 121.15 0.34 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 59.0 83.73 0.12 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.618 0.247 . . . . 0.0 110.699 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.88 -89.62 0.08 OUTLIER Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 54.7 m -141.19 161.45 37.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.78 0.324 . . . . 0.0 111.071 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.27 103.39 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.648 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.42 85.44 0.4 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.78 -128.58 2.35 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -90.11 53.66 2.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.976 0.417 . . . . 0.0 110.468 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.05 -133.02 52.74 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 41.82 51.18 4.11 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.234 0.54 . . . . 0.0 110.517 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.8 83.53 1.8 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.654 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.11 123.07 25.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.688 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.79 -175.52 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 0.0 111.024 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -153.5 140.49 19.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.378 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.25 -173.62 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 95.7 p -151.12 161.32 42.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.07 113.8 15.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -129.79 100.94 5.67 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.091 0.472 . . . . 0.0 111.066 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.35 54.1 0.55 Allowed Glycine 0 CA--C 1.527 0.834 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.66 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.61 114.32 26.23 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.634 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -145.02 133.59 22.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.784 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 70.1 m -125.1 127.34 46.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.471 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.06 -165.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.685 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.531 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.719 0.295 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.95 159.11 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -127.21 130.27 49.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.681 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -127.4 149.54 50.03 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.323 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.22 -52.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -134.95 132.16 38.09 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.592 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.38 74.89 0.79 Allowed Glycine 0 CA--C 1.527 0.807 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.061 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.517 ' HD2' ' HH ' ' A' ' 55' ' ' TYR . 70.7 m-85 29.13 69.99 0.07 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.164 0.567 . . . . 0.0 112.368 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.82 93.96 0.23 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 67.07 94.72 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.7 t -160.72 149.46 16.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.82 138.36 53.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.517 ' HH ' ' HD2' ' A' ' 50' ' ' TYR . 89.6 m-85 -129.46 143.73 50.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -149.66 137.92 20.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.487 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -156.18 160.83 40.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.648 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -132.42 148.65 52.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.46 -151.97 48.9 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.04 139.7 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.564 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.8 116.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.66 118.78 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.467 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.73 100.34 11.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.658 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.6 m -115.14 128.65 56.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.416 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.13 -166.64 1.07 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -54.83 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 111.116 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.42 -105.89 1.34 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.421 HG21 ' HB2' ' A' ' 96' ' ' SER . 44.6 p -108.36 107.76 18.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.148 0.499 . . . . 0.0 110.136 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.1 135.58 20.63 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.695 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.2 m -110.68 136.25 50.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.117 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.407 ' C ' ' OG1' ' B' ' 71' ' ' THR . 33.4 p -73.8 166.0 48.2 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.465 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.402 ' N ' ' OG1' ' B' ' 71' ' ' THR . 44.8 Cg_endo -88.6 105.49 0.46 Allowed 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.523 2.149 . . . . 0.0 113.671 -176.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -57.29 120.04 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.243 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.98 -87.81 0.27 Allowed Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -129.22 86.94 2.49 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.493 0.663 . . . . 0.0 110.621 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.34 104.63 2.99 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.245 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.76 122.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 111.124 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 85.6 m -110.38 110.28 21.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.86 90.51 0.61 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.74 123.38 0.69 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -93.79 -40.98 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.4 -67.82 1.14 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -148.39 112.82 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.22 84.72 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.345 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.9 118.6 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.354 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.0 p -145.46 167.1 23.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 111.17 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.4 t -139.13 129.7 25.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.011 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.15 173.08 16.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.901 0.381 . . . . 0.0 111.177 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.1 p -166.68 157.85 12.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -164.05 175.35 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.73 75.15 0.05 Allowed 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.38 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.19 49.95 0.13 Allowed Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -97.65 114.28 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.625 0.25 . . . . 0.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.97 128.57 38.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.27 119.32 28.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.285 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.421 ' HB2' HG21 ' A' ' 68' ' ' THR . 6.1 t 66.14 -165.63 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.425 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.815 0.341 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -70.97 159.21 35.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.4 m -127.33 130.18 49.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.686 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -127.11 149.2 50.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.49 -52.3 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.04 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.78 132.44 38.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.492 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 109.98 77.23 0.93 Allowed Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.714 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.522 ' HD2' ' HH ' ' B' ' 55' ' ' TYR . 69.5 m-85 26.24 70.77 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.06 94.01 0.24 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.19 94.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.83 0.348 . . . . 0.0 110.129 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 32.7 t -160.71 149.46 16.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.82 138.41 53.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.522 ' HH ' ' HD2' ' B' ' 50' ' ' TYR . 89.7 m-85 -129.54 143.76 50.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.71 137.88 20.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.458 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 97.5 p -156.14 160.73 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.609 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -132.35 148.59 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.51 -152.04 48.91 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -68.06 139.7 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.615 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 12.5 p -179.73 116.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.587 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.61 118.78 21.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.494 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.81 100.45 11.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -115.03 128.74 56.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.42 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.33 -166.51 1.12 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.41 -54.83 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.646 0.26 . . . . 0.0 110.999 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.83 -106.39 1.36 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.421 HG21 ' HB2' ' B' ' 96' ' ' SER . 44.9 p -108.05 107.65 18.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.768 0.318 . . . . 0.0 110.201 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -148.05 134.86 20.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.714 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 66.0 m -109.84 136.05 49.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.132 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' THR . . . . . 0.426 ' C ' ' OG1' ' C' ' 71' ' ' THR . 36.0 p -74.06 166.64 42.77 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.288 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' PRO . . . . . 0.409 ' N ' ' OG1' ' C' ' 71' ' ' THR . 44.3 Cg_endo -89.03 103.4 0.39 Allowed 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.803 2.335 . . . . 0.0 114.329 -175.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.25 120.17 6.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.492 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.06 -87.69 0.27 Allowed Glycine 0 CA--C 1.527 0.844 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.0 86.75 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.186 0.517 . . . . 0.0 110.59 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.98 105.03 3.01 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.63 122.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 86.5 m -110.17 110.15 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.351 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.68 90.75 0.63 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.84 123.5 0.7 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -93.95 -41.44 9.59 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.28 -67.48 1.21 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 45.5 t -148.42 112.86 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.22 84.86 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.331 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -126.01 118.19 24.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.362 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 96.8 p -145.01 167.16 23.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.018 0.437 . . . . 0.0 111.198 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -139.01 129.66 26.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.033 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.07 173.16 16.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.869 0.366 . . . . 0.0 111.325 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.71 157.84 12.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.613 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.1 t -164.0 175.37 10.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.675 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.94 77.0 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.11 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.36 50.09 0.11 Allowed Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.387 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -97.74 114.15 26.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 0.0 110.663 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.95 128.65 38.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.821 0.343 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.34 28.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.243 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 96' ' ' SER . . . . . 0.421 ' HB2' HG21 ' B' ' 68' ' ' THR . 6.1 t 66.18 -165.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.467 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.78 0.324 . . . . 0.0 110.683 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.99 159.13 35.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -127.17 130.08 49.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.68 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -127.05 149.2 50.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.526 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.48 -52.32 1.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.02 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.78 132.49 38.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.472 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 49' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 109.95 77.36 0.94 Allowed Glycine 0 C--O 1.222 -0.613 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.679 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 50' ' ' TYR . . . . . 0.521 ' HD2' ' HH ' ' C' ' 55' ' ' TYR . 68.5 m-85 26.18 70.83 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.17 93.96 0.24 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.19 94.54 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.841 0.353 . . . . 0.0 110.144 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.72 149.44 16.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -125.85 138.44 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 55' ' ' TYR . . . . . 0.521 ' HH ' ' HD2' ' C' ' 50' ' ' TYR . 89.6 m-85 -129.56 143.78 50.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.75 137.87 20.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.395 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 97.7 p -156.14 160.82 40.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.42 148.63 52.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.529 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.46 -152.1 49.07 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.88 139.62 56.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 0.0 110.657 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 12.3 p -179.79 116.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.523 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.57 118.77 21.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -100.83 100.47 11.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -115.0 128.88 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.368 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.44 -166.48 1.15 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -54.79 19.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.612 0.244 . . . . 0.0 111.037 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.74 -106.31 1.36 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.421 HG21 ' HB2' ' C' ' 96' ' ' SER . 45.0 p -108.07 107.61 18.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 110.204 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -148.0 135.03 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.572 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.91 135.94 49.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.426 ' OG1' ' C ' ' B' ' 71' ' ' THR . 36.7 p -74.05 166.68 42.42 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.26 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 72' ' ' PRO . . . . . 0.407 ' N ' ' OG1' ' D' ' 71' ' ' THR . 43.8 Cg_endo -89.08 103.2 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 122.705 2.27 . . . . 0.0 114.494 -175.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.05 120.2 6.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.537 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.08 -87.68 0.27 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.97 86.8 2.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.171 0.51 . . . . 0.0 110.583 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.06 105.15 3.02 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.55 122.24 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.842 0.353 . . . . 0.0 111.077 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m -110.29 110.26 21.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.333 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.59 90.75 0.63 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.82 123.46 0.69 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -93.91 -41.38 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.27 -67.5 1.2 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 45.3 t -148.45 112.96 5.32 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 84.73 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.366 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.91 118.16 24.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.376 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 96.6 p -144.96 167.24 23.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.12 129.74 25.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.993 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.12 173.11 16.91 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.307 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 97.8 p -166.76 157.7 12.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.646 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -163.94 175.18 10.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.621 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.85 77.34 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.161 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.52 50.17 0.11 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -97.75 114.17 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.676 0.274 . . . . 0.0 110.665 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.97 128.64 38.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.33 119.35 29.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.253 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 96' ' ' SER . . . . . 0.421 ' HB2' HG21 ' C' ' 68' ' ' THR . 6.1 t 66.13 -165.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.625 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 22.1 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.452 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.808 0.337 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.05 159.14 35.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -127.3 130.12 48.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.71 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.07 149.16 50.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.494 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.51 -52.41 1.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.937 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.56 132.71 39.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 49' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 109.79 77.45 0.95 Allowed Glycine 0 C--O 1.223 -0.567 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.689 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 50' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' D' ' 49' ' ' GLY . 69.4 m-85 26.11 70.85 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 178.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.17 93.96 0.24 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.27 94.46 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.842 0.353 . . . . 0.0 110.12 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.63 149.5 16.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.91 138.43 53.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.466 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -129.6 143.7 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.724 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 47.1 t -149.64 137.87 20.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.448 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.12 160.74 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.603 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -132.38 148.65 52.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.51 -151.98 48.84 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -68.11 139.65 56.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.639 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.73 116.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.44 118.83 20.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.486 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.9 100.38 11.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -115.12 128.75 56.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.448 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.26 -166.52 1.1 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.39 -54.68 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.583 0.23 . . . . 0.0 111.069 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.64 -106.24 1.36 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 68' ' ' THR . . . . . 0.422 HG21 ' HB2' ' D' ' 96' ' ' SER . 45.0 p -108.12 107.56 18.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.746 0.307 . . . . 0.0 110.317 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -147.97 135.01 20.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.709 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 66.4 m -109.89 136.06 49.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 71' ' ' THR . . . . . 0.427 ' C ' ' OG1' ' E' ' 71' ' ' THR . 36.5 p -74.13 166.79 41.52 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.201 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 72' ' ' PRO . . . . . 0.421 ' HB3' ' C ' ' E' ' 72' ' ' PRO . 43.2 Cg_endo -89.25 103.19 0.37 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.762 2.308 . . . . 0.0 114.529 -175.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.91 120.03 6.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.628 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.02 -87.62 0.27 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.86 86.77 2.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.133 0.492 . . . . 0.0 110.571 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.03 105.19 3.03 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.68 122.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.381 . . . . 0.0 111.066 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 87.1 m -110.07 110.21 21.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.508 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.75 90.81 0.63 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.74 123.55 0.7 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -94.0 -41.3 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.32 -67.39 1.24 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.5 112.98 5.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.901 0.381 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 84.74 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.92 118.12 24.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.354 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 97.3 p -144.93 167.21 23.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.921 0.391 . . . . 0.0 111.222 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.15 129.63 25.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.969 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.06 173.06 17.02 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.32 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.67 157.79 12.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -163.96 175.16 10.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.629 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.83 77.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.64 50.16 0.11 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -97.74 114.17 26.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.652 0.263 . . . . 0.0 110.651 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.98 128.58 38.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.919 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.39 29.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.21 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 96' ' ' SER . . . . . 0.422 ' HB2' HG21 ' D' ' 68' ' ' THR . 6.1 t 66.14 -165.76 0.22 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.598 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.366 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.755 0.312 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -70.93 159.16 35.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 94.5 m -127.37 130.28 49.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.628 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -126.96 149.25 49.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.536 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 47' ' ' THR . . . . . 0.423 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -123.23 -50.25 1.91 Allowed 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 119.458 -0.897 . . . . 0.0 111.994 177.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' E' E ' 48' ' ' SER . . . . . 0.423 ' N ' HG22 ' E' ' 47' ' ' THR . 43.3 t -131.31 131.17 43.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.8 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 49' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.76 71.98 0.63 Allowed Glycine 0 C--O 1.218 -0.885 0 C-N-CA 118.385 -1.864 . . . . 0.0 112.818 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 50' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' E' ' 49' ' ' GLY . 69.9 m-85 25.83 75.69 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.241 0.617 . . . . 0.0 111.128 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.09 92.04 0.29 Allowed Glycine 0 CA--C 1.517 0.167 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.98 94.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.39 . . . . 0.0 110.081 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.7 149.54 16.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.507 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.81 138.5 53.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.532 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -129.6 143.77 50.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.766 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -149.67 137.86 20.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.45 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -156.15 160.8 40.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.565 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -132.41 148.64 52.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.601 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.44 -152.04 49.02 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.85 139.61 56.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.745 0.307 . . . . 0.0 110.672 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 12.5 p -179.77 116.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.579 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.57 118.61 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -100.62 100.21 10.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -115.0 128.75 56.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.291 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.92 -166.69 1.01 Allowed Glycine 0 CA--C 1.525 0.667 0 O-C-N 123.909 0.755 . . . . 0.0 111.512 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.26 -54.83 18.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.667 0.27 . . . . 0.0 111.089 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.22 -106.15 1.38 Allowed Glycine 0 N--CA 1.465 0.579 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 68' ' ' THR . . . . . 0.417 HG21 ' HB2' ' E' ' 96' ' ' SER . 45.6 p -108.09 107.3 17.9 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.79 135.67 21.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.419 0.628 . . . . 0.0 110.54 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -110.67 136.53 49.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 71' ' ' THR . . . . . 0.434 ' C ' ' OG1' ' F' ' 71' ' ' THR . 37.8 p -74.29 166.83 41.39 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.335 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 72' ' ' PRO . . . . . 0.421 ' C ' ' HB3' ' D' ' 72' ' ' PRO . 53.0 Cg_endo -90.49 107.89 0.34 Allowed 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.271 1.314 . . . . 0.0 113.285 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -57.7 120.43 8.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.432 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.79 -87.26 0.27 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -128.88 85.13 2.29 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.015 0.436 . . . . 0.0 110.964 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.42 103.56 2.73 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.3 122.01 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.991 0.424 . . . . 0.0 111.076 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 85.5 m -109.75 110.24 21.19 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.088 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.08 90.81 0.64 Allowed Glycine 0 CA--C 1.541 1.693 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.55 121.59 0.58 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -90.28 -45.85 8.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.498 -0.351 . . . . 0.0 111.762 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -43.33 -67.52 0.97 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 45.3 t -148.42 112.96 5.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.06 84.26 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.197 0.936 . . . . 0.0 110.706 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.63 117.33 23.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.399 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 96.8 p -144.57 167.0 23.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.16 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 43.2 t -139.0 129.65 26.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.02 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.11 173.09 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.304 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 97.2 p -166.48 157.36 12.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.7 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 48.1 t -162.88 175.69 10.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.759 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.78 76.89 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.207 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.48 49.97 0.11 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -96.29 113.94 25.58 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.959 -0.141 . . . . 0.0 110.986 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.96 128.75 39.1 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.03 119.31 29.16 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.754 0.659 . . . . 0.0 109.991 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 96' ' ' SER . . . . . 0.417 ' HB2' HG21 ' E' ' 68' ' ' THR . 6.0 t 66.27 -165.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.738 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.44 -179.923 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.818 0.342 . . . . 0.0 110.672 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.99 159.17 35.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -127.36 130.16 48.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.646 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.06 149.1 50.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.55 -52.23 1.93 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.031 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.67 132.51 39.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.438 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 109.85 77.64 0.96 Allowed Glycine 0 C--O 1.222 -0.628 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.695 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 50' ' ' TYR . . . . . 0.514 ' HD2' ' HH ' ' F' ' 55' ' ' TYR . 69.2 m-85 25.76 70.94 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.2 93.91 0.24 Allowed Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.26 94.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 110.159 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.71 149.46 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.86 138.35 53.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.566 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 55' ' ' TYR . . . . . 0.514 ' HH ' ' HD2' ' F' ' 50' ' ' TYR . 89.5 m-85 -129.43 143.71 50.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.69 137.92 20.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.418 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.2 160.75 40.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.555 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -132.34 148.59 52.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.53 -152.03 48.86 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.88 139.62 56.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.773 0.321 . . . . 0.0 110.637 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.82 116.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.606 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.5 118.83 21.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.91 100.43 11.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -114.99 128.99 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.54 -166.37 1.16 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -54.97 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.668 0.27 . . . . 0.0 110.999 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.93 -106.43 1.36 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 68' ' ' THR . . . . . 0.417 HG21 ' HB2' ' F' ' 96' ' ' SER . 45.2 p -107.98 107.66 18.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -148.06 135.09 20.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 66.7 m -110.06 136.03 49.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 71' ' ' THR . . . . . 0.434 ' OG1' ' C ' ' E' ' 71' ' ' THR . 36.9 p -74.1 166.77 41.73 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.246 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 72' ' ' PRO . . . . . 0.407 ' C ' ' HB3' ' E' ' 72' ' ' PRO . 44.1 Cg_endo -89.22 103.18 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.706 2.271 . . . . 0.0 114.459 -175.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.93 120.1 6.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.518 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.06 -87.86 0.27 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.53 86.6 2.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.12 0.486 . . . . 0.0 110.613 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.96 105.11 3.01 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.48 122.22 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.929 0.395 . . . . 0.0 111.056 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 86.8 m -110.17 110.23 21.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.369 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.63 90.82 0.63 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.79 123.45 0.69 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -93.93 -41.34 9.65 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.21 -67.52 1.19 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.4 112.95 5.33 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.3 84.75 2.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.295 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -125.94 118.13 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.353 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 96.6 p -145.02 167.2 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 111.182 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 43.4 t -139.04 129.61 25.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.123 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.05 173.09 16.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.362 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 97.1 p -166.7 157.76 12.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.636 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.91 175.3 10.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.641 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.92 77.45 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.62 50.19 0.11 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -97.75 114.17 26.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.749 0.309 . . . . 0.0 110.651 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.95 128.56 38.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.25 119.3 28.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.268 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 96' ' ' SER . . . . . 0.417 ' HB2' HG21 ' F' ' 68' ' ' THR . 6.1 t 66.11 -165.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.442 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.804 0.335 . . . . 0.0 110.672 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.01 159.17 35.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -127.2 130.14 49.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.703 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.15 149.15 50.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.506 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.41 -52.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.056 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 48.5 t -134.75 132.49 38.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.471 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 49' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 109.9 77.4 0.94 Allowed Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.624 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 50' ' ' TYR . . . . . 0.512 ' HD2' ' HH ' ' G' ' 55' ' ' TYR . 68.5 m-85 26.16 70.88 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.21 93.97 0.25 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.19 94.47 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.803 0.335 . . . . 0.0 110.144 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.63 149.5 16.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.536 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.9 138.36 53.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 55' ' ' TYR . . . . . 0.512 ' HH ' ' HD2' ' G' ' 50' ' ' TYR . 89.4 m-85 -129.52 143.73 50.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.786 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 47.1 t -149.69 137.84 20.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.402 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 95.8 p -156.09 160.81 40.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.39 148.66 52.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.43 -151.98 48.96 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.97 139.61 56.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 110.56 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.75 116.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.527 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.53 118.79 21.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.82 100.44 11.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -115.0 128.88 56.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.371 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.42 -166.47 1.14 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -54.79 19.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.589 0.233 . . . . 0.0 111.021 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.74 -106.41 1.37 Allowed Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 68' ' ' THR . . . . . 0.415 HG21 ' HB2' ' G' ' 96' ' ' SER . 45.3 p -108.03 107.59 18.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.718 0.294 . . . . 0.0 110.223 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.99 134.93 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.6 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.86 136.05 49.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.186 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 71' ' ' THR . . . . . 0.428 ' OG1' ' C ' ' F' ' 71' ' ' THR . 35.6 p -74.01 166.76 41.72 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.292 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 72' ' ' PRO . . . . . 0.404 ' C ' ' HB3' ' F' ' 72' ' ' PRO . 43.7 Cg_endo -89.22 103.18 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.771 2.314 . . . . 0.0 114.43 -175.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.91 120.13 6.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.575 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.04 -87.53 0.27 Allowed Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.1 86.79 2.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.208 0.528 . . . . 0.0 110.551 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.99 105.06 3.01 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.65 122.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.901 0.381 . . . . 0.0 111.11 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 87.2 m -110.21 110.22 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.355 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.58 90.72 0.63 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.84 123.48 0.69 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -93.91 -41.5 9.58 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.18 -67.48 1.2 Allowed Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 45.1 t -148.47 112.93 5.31 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.3 84.82 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.332 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -125.96 118.09 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.383 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 97.0 p -144.95 167.19 23.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.99 0.424 . . . . 0.0 111.162 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -139.01 129.65 25.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.064 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.11 173.17 16.84 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.3 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.7 157.76 12.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.92 175.25 10.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.722 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.89 77.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.754 0.312 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.65 50.18 0.11 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -97.86 114.16 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.91 128.61 38.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.43 29.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 96' ' ' SER . . . . . 0.415 ' HB2' HG21 ' G' ' 68' ' ' THR . 6.1 t 66.1 -165.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.401 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.832 0.349 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 83.3 p -70.9 159.2 35.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -127.37 130.14 48.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.662 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -127.08 149.06 50.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.561 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.48 -52.28 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.05 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -134.72 132.47 38.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.503 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 49' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 109.97 77.32 0.93 Allowed Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.776 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 50' ' ' TYR . . . . . 0.522 ' HD2' ' HH ' ' H' ' 55' ' ' TYR . 69.2 m-85 26.22 70.82 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.25 94.05 0.25 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.21 94.43 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.173 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.64 149.41 16.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.618 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.83 138.38 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 55' ' ' TYR . . . . . 0.522 ' HH ' ' HD2' ' H' ' 50' ' ' TYR . 89.7 m-85 -129.46 143.73 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 47.0 t -149.73 137.92 20.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.408 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.16 160.78 40.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.628 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.38 148.69 52.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.37 -152.01 49.09 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.98 139.62 56.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 0.0 110.643 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.75 116.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.48 118.72 20.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.582 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.81 100.37 11.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.2 m -115.04 128.9 56.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.36 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.43 -166.4 1.13 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -54.9 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.623 0.249 . . . . 0.0 111.039 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.91 -106.33 1.35 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 68' ' ' THR . . . . . 0.41 HG21 ' HB2' ' H' ' 96' ' ' SER . 45.6 p -108.03 107.54 18.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.98 135.0 20.27 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.572 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.88 136.1 49.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 71' ' ' THR . . . . . 0.428 ' OG1' ' C ' ' G' ' 71' ' ' THR . 36.9 p -74.12 166.88 40.74 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.252 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 72' ' ' PRO . . . . . 0.402 ' C ' ' HB3' ' G' ' 72' ' ' PRO . 44.1 Cg_endo -89.25 103.09 0.37 Allowed 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.809 2.339 . . . . 0.0 114.418 -175.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.9 120.11 6.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.579 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.09 -87.65 0.27 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.77 86.66 2.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.084 0.468 . . . . 0.0 110.598 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.93 105.24 3.02 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.47 122.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.147 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m -110.09 110.29 21.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.378 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.67 90.9 0.63 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.78 123.53 0.7 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -94.08 -41.35 9.58 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.32 -67.43 1.23 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.768 -0.533 . . . . 0.0 111.768 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -148.42 112.92 5.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.958 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.24 84.71 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.344 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.91 118.08 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.468 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 96.7 p -144.95 167.21 23.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.981 0.419 . . . . 0.0 111.218 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.09 129.63 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.026 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.09 173.06 17.01 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.289 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 97.6 p -166.69 157.71 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.627 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.95 175.08 10.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.721 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.74 77.82 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.88 50.25 0.11 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.414 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -97.81 114.08 26.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.352 . . . . 0.0 110.675 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.88 128.62 38.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.35 119.27 28.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.241 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 96' ' ' SER . . . . . 0.41 ' HB2' HG21 ' H' ' 68' ' ' THR . 6.1 t 66.16 -165.9 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.428 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.764 0.316 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.05 159.29 35.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.9 m -127.49 130.02 48.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.683 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -127.31 148.27 50.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.626 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 47' ' ' THR . . . . . 0.4 HG22 ' N ' ' I' ' 48' ' ' SER . 1.0 OUTLIER -121.96 -52.82 1.97 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.992 179.784 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' I' I ' 48' ' ' SER . . . . . 0.4 ' N ' HG22 ' I' ' 47' ' ' THR . 48.1 t -134.17 132.71 40.11 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.482 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 109.97 77.38 0.94 Allowed Glycine 0 C--O 1.223 -0.541 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.635 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 50' ' ' TYR . . . . . 0.524 ' HD2' ' HH ' ' I' ' 55' ' ' TYR . 68.2 m-85 25.94 72.26 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.28 93.98 0.31 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 67.22 93.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.837 0.351 . . . . 0.0 110.188 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.14 149.6 17.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -125.89 138.45 53.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 55' ' ' TYR . . . . . 0.524 ' HH ' ' HD2' ' I' ' 50' ' ' TYR . 89.7 m-85 -129.59 143.76 50.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.79 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.71 137.93 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.448 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 96.8 p -156.24 160.78 40.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.601 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -132.34 148.6 52.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.45 -152.01 48.96 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.94 139.63 56.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.79 0.328 . . . . 0.0 110.659 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.77 116.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.571 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.53 118.7 20.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.543 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.83 100.45 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -114.86 129.13 56.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.67 -166.23 1.18 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.73 -54.59 22.09 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.308 -0.157 . . . . 0.0 111.01 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.81 -106.58 1.39 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 68' ' ' THR . . . . . 0.408 HG21 ' HB2' ' I' ' 96' ' ' SER . 47.7 p -107.82 107.31 18.01 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -147.71 134.89 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.8 m -109.79 135.85 50.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 111.002 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 71' ' ' THR . . . . . 0.416 ' OG1' ' C ' ' H' ' 71' ' ' THR . 41.8 p -73.21 168.07 28.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -89.6 103.61 0.35 Allowed 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 122.749 2.299 . . . . 0.0 114.341 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -55.21 120.57 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.16 -87.41 0.27 Allowed Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.64 86.4 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 110.478 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.56 105.56 3.02 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.47 122.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.808 0.337 . . . . 0.0 111.041 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 89.1 m -110.07 110.2 21.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.41 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.4 90.93 0.64 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.87 123.5 0.7 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -94.0 -41.49 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.615 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.09 -67.25 1.24 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.57 112.99 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.34 84.89 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.366 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -126.04 118.06 24.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.353 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 97.1 p -144.91 166.99 23.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.972 0.415 . . . . 0.0 111.132 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -138.78 129.68 26.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.043 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.22 172.75 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 111.282 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -166.34 157.74 13.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.606 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -163.93 174.59 11.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.75 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -171.44 79.6 0.07 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.03 50.32 0.1 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 178.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -97.9 114.02 25.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.691 0.281 . . . . 0.0 110.602 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.98 128.68 38.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.43 119.4 29.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.218 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 96' ' ' SER . . . . . 0.408 ' HB2' HG21 ' I' ' 68' ' ' THR . 6.0 t 66.18 -165.89 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.617 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 22.1 t80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.436 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.622 0.249 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -96.47 152.92 18.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.044 0.45 . . . . 0.0 111.561 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.5 m -128.96 125.89 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.497 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.29 139.69 25.93 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.892 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -93.52 -41.94 9.5 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.421 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -134.86 171.91 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.598 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.92 69.63 1.37 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.806 -0.518 . . . . 0.0 111.806 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.528 ' HD2' ' HH ' ' A' ' 55' ' ' TYR . 69.5 m-85 26.62 72.24 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.17 91.75 0.3 Allowed Glycine 0 CA--C 1.522 0.476 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 68.1 93.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.834 0.35 . . . . 0.0 110.067 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -158.44 145.44 17.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.4 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -126.64 145.82 50.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.71 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.528 ' HH ' ' HD2' ' A' ' 50' ' ' TYR . 92.9 m-85 -131.23 143.43 50.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.398 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.45 136.78 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.739 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 t -156.76 144.8 19.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.488 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.22 132.76 56.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.617 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.47 133.52 4.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.32 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.772 0.32 . . . . 0.0 110.67 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.56 140.53 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.65 67.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.84 117.52 34.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -128.14 131.34 48.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.52 -162.28 0.6 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.36 -53.39 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.943 0.401 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.57 -99.93 1.28 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.6 p -111.22 104.61 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.404 . . . . 0.0 110.396 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -161.07 173.75 14.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.544 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.7 t -139.54 130.62 26.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.251 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.0 p -69.0 173.35 3.75 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -90.82 104.62 0.28 Allowed 'Trans proline' 0 N--CA 1.487 1.123 0 C-N-CA 122.388 2.059 . . . . 0.0 114.611 -176.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.429 ' OE1' ' NE2' ' A' ' 93' ' ' GLN . 25.3 mp0 -59.95 133.28 55.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.184 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.99 -91.73 0.32 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.24 -58.78 2.09 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.819 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.17 107.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.87 95.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.3 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.9 m -88.35 106.35 18.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.142 0.496 . . . . 0.0 110.592 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.87 -149.96 15.28 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.24 72.68 0.44 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -48.35 168.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.674 0.274 . . . . 0.0 110.661 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.39 47.88 1.27 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 66.74 140.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.1 m -103.78 -65.63 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.443 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.35 78.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.688 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.4 m -157.57 162.93 38.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.975 0.416 . . . . 0.0 111.237 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.6 p -144.16 148.5 35.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.041 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.88 166.53 15.5 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.028 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -164.18 162.32 22.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.68 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -163.57 158.17 20.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.91 72.27 0.25 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.23 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.22 50.04 0.09 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.429 ' NE2' ' OE1' ' A' ' 73' ' ' GLN . 15.8 mp0 -97.76 119.06 35.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.874 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.69 136.01 30.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.0 m -130.58 122.48 27.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.295 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t 53.61 57.41 6.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.548 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.605 0.24 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.27 152.86 18.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.119 0.485 . . . . 0.0 111.455 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 82.7 m -128.91 126.01 38.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.564 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.5 139.72 25.67 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.091 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.77 -41.89 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.381 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -134.71 172.74 12.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 110.542 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 74.18 70.74 1.2 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.716 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.529 ' HD2' ' HH ' ' B' ' 55' ' ' TYR . 68.1 m-85 25.37 72.78 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.6 91.73 0.33 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.21 93.8 0.07 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.912 0.387 . . . . 0.0 110.021 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -158.44 145.41 17.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.434 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -126.7 145.82 50.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.694 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' TYR . . . . . 0.529 ' HH ' ' HD2' ' B' ' 50' ' ' TYR . 92.9 m-85 -131.2 143.38 50.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.43 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -146.44 136.85 23.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.73 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -156.81 144.85 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.439 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.27 132.78 56.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.607 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.49 133.45 4.97 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.44 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.59 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 47.1 t -148.57 140.44 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.55 66.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.78 117.56 34.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.52 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -127.94 131.57 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.82 -162.15 0.64 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.58 -53.26 24.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.639 0.257 . . . . 0.0 110.734 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.7 -100.26 1.31 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 28.7 p -111.05 104.45 13.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.665 0.269 . . . . 0.0 110.434 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.86 174.04 14.45 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.415 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.4 t -139.67 130.61 26.23 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.177 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.27 173.66 3.62 Favored Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -91.14 102.35 0.25 Allowed 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.559 2.173 . . . . 0.0 115.159 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' B' ' 93' ' ' GLN . 25.2 mp0 -57.76 133.31 55.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.399 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.98 -91.77 0.32 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.82 -58.93 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.631 0.253 . . . . 0.0 110.811 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.32 108.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.74 95.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.878 0.37 . . . . 0.0 110.305 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 59.6 m -88.14 106.24 18.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.84 -149.23 14.7 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.02 72.77 0.42 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -48.41 168.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.33 48.1 1.25 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 66.91 141.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m -104.29 -65.56 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.343 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.42 77.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.717 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 65.6 m -157.53 162.92 38.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 0.0 111.15 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 92.3 p -144.13 148.41 35.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.043 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.86 166.53 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.064 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.08 162.3 22.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.777 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 31.4 t -163.54 158.25 20.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.9 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.25 74.09 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.081 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.62 50.04 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' B' ' 73' ' ' GLN . 15.8 mp0 -97.67 118.96 35.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.78 136.19 30.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.67 122.32 27.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.348 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.74 57.39 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.464 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.612 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.629 0.252 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -96.25 152.78 18.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.09 0.471 . . . . 0.0 111.572 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 80.7 m -128.81 126.01 38.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.544 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.44 139.72 25.75 Favored 'General case' 0 C--O 1.22 -0.463 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.137 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.74 -41.93 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.443 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.75 172.74 12.54 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.548 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 74.15 70.82 1.19 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.66 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 50' ' ' TYR . . . . . 0.522 ' HD2' ' HH ' ' C' ' 55' ' ' TYR . 67.8 m-85 25.23 72.91 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.71 91.72 0.34 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.29 93.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.46 145.26 17.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.423 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -126.6 145.81 50.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.731 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 55' ' ' TYR . . . . . 0.522 ' HH ' ' HD2' ' C' ' 50' ' ' TYR . 92.7 m-85 -131.24 143.46 50.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.399 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.48 136.77 23.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.697 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -156.78 144.89 19.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.438 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.27 132.8 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.634 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.43 133.42 4.94 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.45 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.644 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 47.1 t -148.55 140.53 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.64 66.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.76 117.55 34.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 93.1 m -127.96 131.67 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.98 -162.14 0.67 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.5 -53.3 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.737 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.76 -100.27 1.31 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -111.08 104.51 13.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.678 0.275 . . . . 0.0 110.349 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.86 174.03 14.46 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.519 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.64 130.54 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.139 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.33 173.69 3.63 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -90.99 102.14 0.25 Allowed 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.707 2.272 . . . . 0.0 115.181 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 73' ' ' GLN . . . . . 0.435 ' OE1' ' NE2' ' C' ' 93' ' ' GLN . 25.2 mp0 -57.62 133.35 55.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.401 179.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.0 -91.72 0.32 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -58.92 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.658 0.266 . . . . 0.0 110.791 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.4 108.05 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t 53.79 95.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.303 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 59.1 m -87.97 106.29 18.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.756 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.82 -149.45 14.91 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.12 72.85 0.41 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -48.48 168.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.69 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.36 48.05 1.25 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 66.97 141.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.37 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 22.7 m -104.37 -65.68 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.239 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.49 77.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 65.5 m -157.45 162.89 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.003 0.43 . . . . 0.0 111.148 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 92.1 p -144.02 148.55 35.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.058 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.93 166.49 15.41 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.164 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.16 162.22 22.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.775 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 31.2 t -163.48 158.21 20.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.22 74.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.126 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.51 50.08 0.08 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 93' ' ' GLN . . . . . 0.435 ' NE2' ' OE1' ' C' ' 73' ' ' GLN . 15.9 mp0 -97.73 118.83 35.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.64 136.16 30.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.64 122.4 27.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.355 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.78 57.22 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.554 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.54 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.645 0.259 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -96.23 152.81 18.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.049 0.452 . . . . 0.0 111.53 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 80.6 m -128.99 125.9 38.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.593 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.3 139.7 25.92 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.216 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -93.83 -41.86 9.41 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.344 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.86 172.72 12.59 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.562 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 74.18 70.86 1.18 Allowed Glycine 0 CA--C 1.525 0.713 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.671 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 50' ' ' TYR . . . . . 0.516 ' HD2' ' HH ' ' D' ' 55' ' ' TYR . 67.4 m-85 25.17 73.11 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.85 91.81 0.35 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.17 93.83 0.07 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.068 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.53 145.32 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.374 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 67.2 m -126.66 145.76 50.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.717 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 55' ' ' TYR . . . . . 0.516 ' HH ' ' HD2' ' D' ' 50' ' ' TYR . 92.9 m-85 -131.24 143.56 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.335 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.54 136.71 23.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -156.7 144.94 19.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.418 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.33 132.88 56.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.38 133.52 4.95 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.3 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.623 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 47.0 t -148.48 140.54 23.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.59 66.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.639 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.76 117.57 34.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.6 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -128.04 131.6 49.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.64 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.85 -162.05 0.64 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.6 -53.17 25.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.682 0.277 . . . . 0.0 110.795 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.58 -100.17 1.31 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -111.04 104.43 12.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.641 0.258 . . . . 0.0 110.48 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.87 174.04 14.44 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.452 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.65 130.58 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 111.117 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.41 173.84 3.53 Favored Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -91.2 102.19 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 122.629 2.219 . . . . 0.0 115.302 -175.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' D' ' 93' ' ' GLN . 25.2 mp0 -57.55 133.25 55.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.449 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.98 -91.64 0.32 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -58.95 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.791 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.35 108.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 11.6 t 53.76 95.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.952 0.406 . . . . 0.0 110.291 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 59.0 m -87.95 106.1 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.87 -149.36 14.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.15 72.83 0.41 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -48.45 168.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.596 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.26 48.05 1.26 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 67.08 141.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 22.3 m -104.36 -65.65 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.278 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.42 77.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 66.0 m -157.53 162.91 38.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 0.0 111.211 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 92.1 p -144.11 148.49 35.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.03 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.91 166.49 15.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.177 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.12 162.21 22.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.742 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 31.8 t -163.51 158.08 20.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.26 74.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.085 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.38 50.08 0.08 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 93' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' D' ' 73' ' ' GLN . 15.8 mp0 -97.71 118.93 35.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.75 136.06 30.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.61 122.34 27.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.379 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.75 57.25 6.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.581 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.638 0.256 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.17 152.75 18.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.071 0.462 . . . . 0.0 111.554 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 82.0 m -128.95 126.22 39.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.572 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.82 140.26 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.245 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -95.26 -42.06 8.73 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.482 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -131.03 172.72 11.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.756 0.312 . . . . 0.0 111.3 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 49' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 75.0 70.76 1.22 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 50' ' ' TYR . . . . . 0.515 ' HD2' ' HH ' ' E' ' 55' ' ' TYR . 69.7 m-85 22.37 77.45 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 O-C-N 124.422 0.719 . . . . 0.0 111.667 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.66 90.38 0.47 Allowed Glycine 0 CA--C 1.518 0.22 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.68 94.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.951 0.405 . . . . 0.0 109.946 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.55 145.32 17.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 68.1 m -126.5 146.15 50.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 55' ' ' TYR . . . . . 0.515 ' HH ' ' HD2' ' E' ' 50' ' ' TYR . 93.0 m-85 -131.37 143.5 50.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.49 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.49 136.76 23.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.792 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -156.77 144.84 19.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.445 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.25 132.89 56.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.605 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.44 133.49 4.96 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.38 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.629 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.54 140.51 23.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.507 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.63 67.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.561 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -104.02 117.75 35.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.479 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -128.11 131.47 49.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.458 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.49 -162.24 0.59 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.42 -53.91 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.567 0.222 . . . . 0.0 110.628 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.13 -100.44 1.3 Allowed Glycine 0 N--CA 1.461 0.349 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 28.7 p -110.95 104.32 12.9 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.649 0.262 . . . . 0.0 110.418 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.79 174.01 14.53 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.455 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.64 130.59 26.25 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.136 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 7.8 p -69.36 173.81 3.54 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -92.64 107.67 0.21 Allowed 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 120.876 1.051 . . . . 0.0 113.903 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' E' ' 93' ' ' GLN . 25.2 mp0 -60.4 133.18 55.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.247 178.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.97 -90.99 0.32 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.45 -57.83 2.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.29 109.84 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.331 -1.108 . . . . 0.0 110.331 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t 51.63 97.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.29 0.566 . . . . 0.0 110.086 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 59.5 m -88.8 106.27 18.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.685 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.2 14.7 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.18 72.51 0.46 Allowed Glycine 0 N--CA 1.459 0.216 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -48.91 168.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.402 . . . . 0.0 110.492 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.42 49.0 1.15 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 66.22 142.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.351 0.596 . . . . 0.0 111.023 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.24 -66.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.48 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.67 78.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 66.0 m -157.6 162.89 38.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.948 0.404 . . . . 0.0 111.208 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 92.4 p -144.07 148.49 35.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.149 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.96 166.5 15.35 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.191 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 97.0 p -163.8 162.25 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.728 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 31.5 t -162.8 158.45 22.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -163.94 74.11 0.3 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.303 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.98 50.09 0.08 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 93' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' E' ' 73' ' ' GLN . 16.1 mp0 -96.36 118.62 33.28 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.943 -0.151 . . . . 0.0 111.076 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.65 136.22 30.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.682 0.277 . . . . 0.0 110.599 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 43.1 m -130.42 122.21 27.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.098 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 16.0 t 53.8 57.44 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.569 0.543 . . . . 0.0 110.556 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.596 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.564 0.221 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -96.22 152.87 18.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.079 0.466 . . . . 0.0 111.49 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 82.2 m -128.96 126.12 38.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.513 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.5 139.67 25.63 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 120.579 -0.449 . . . . 0.0 111.226 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.62 -42.0 9.43 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.397 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.66 172.98 12.19 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.559 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 73.86 71.09 1.15 Allowed Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.727 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 50' ' ' TYR . . . . . 0.506 ' HD2' ' HH ' ' F' ' 55' ' ' TYR . 66.7 m-85 24.84 73.07 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.79 91.77 0.35 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 68.21 93.75 0.07 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.4 145.34 17.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -126.6 145.84 50.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.697 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 55' ' ' TYR . . . . . 0.506 ' HH ' ' HD2' ' F' ' 50' ' ' TYR . 92.9 m-85 -131.29 143.46 50.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.388 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.5 136.83 23.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.692 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -156.77 144.92 19.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.378 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.24 132.8 56.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.639 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.5 133.57 5.02 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.34 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.644 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.5 140.55 23.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.526 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.63 66.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.564 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.82 117.62 34.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.503 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 93.4 m -128.05 131.66 49.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.487 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.92 -162.02 0.65 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.62 -53.32 24.77 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.755 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.7 -100.24 1.31 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -110.97 104.65 13.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.646 0.26 . . . . 0.0 110.46 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.97 174.09 14.31 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.467 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.71 130.57 26.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.074 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.36 173.61 3.72 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -91.03 102.14 0.25 Allowed 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.608 2.205 . . . . 0.0 115.268 -175.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' F' ' 93' ' ' GLN . 25.2 mp0 -57.45 133.36 55.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.409 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.93 -91.79 0.32 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.6 -59.01 2.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.778 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.42 108.16 0.01 OUTLIER Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.55 95.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.341 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 59.4 m -88.09 106.32 18.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.4 14.88 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.1 72.93 0.4 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -48.5 168.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.378 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.35 48.07 1.25 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 67.08 141.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 22.6 m -104.42 -65.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.25 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.48 77.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.706 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 65.9 m -157.54 162.93 38.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 111.186 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 92.3 p -144.07 148.37 35.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.107 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.78 166.57 15.67 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.734 -0.387 . . . . 0.0 111.116 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 97.5 p -164.23 162.24 22.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.672 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 31.7 t -163.45 158.19 20.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.18 74.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.057 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.43 50.07 0.08 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 93' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' F' ' 73' ' ' GLN . 15.8 mp0 -97.66 118.87 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.7 136.07 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 43.3 m -130.63 122.41 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.361 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.69 57.31 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.619 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.626 0.251 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 70.0 m -96.07 152.82 18.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.128 0.489 . . . . 0.0 111.52 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 81.2 m -128.93 125.92 38.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.544 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.37 139.68 25.81 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.167 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.74 -41.99 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.384 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.7 172.67 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.905 0.383 . . . . 0.0 110.577 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 74.16 70.92 1.17 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.689 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 50' ' ' TYR . . . . . 0.504 ' HD2' ' HH ' ' G' ' 55' ' ' TYR . 67.9 m-85 25.1 73.02 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.69 91.78 0.34 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.14 93.77 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.063 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 47.7 t -158.42 145.31 17.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.411 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -126.58 145.9 50.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.696 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 55' ' ' TYR . . . . . 0.504 ' HH ' ' HD2' ' G' ' 50' ' ' TYR . 92.9 m-85 -131.32 143.34 50.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.43 136.8 23.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.708 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 47.5 t -156.77 144.88 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.443 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.21 132.81 56.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.664 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.35 133.48 4.92 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.43 -174.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.313 . . . . 0.0 110.66 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.45 140.55 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.65 67.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.607 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.85 117.6 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 93.3 m -128.0 131.62 49.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.87 -162.02 0.64 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.6 -53.34 24.47 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.714 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.69 -100.24 1.31 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -111.0 104.46 13.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.663 0.268 . . . . 0.0 110.458 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.82 174.15 14.31 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.54 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.76 130.57 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.065 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.31 173.72 3.59 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -91.09 102.06 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.441 0 C-N-CA 122.639 2.226 . . . . 0.0 115.224 -175.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' G' ' 93' ' ' GLN . 25.2 mp0 -57.44 133.33 55.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.485 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.0 -91.74 0.32 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.87 -58.94 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.769 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.42 108.17 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t 53.62 95.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.377 . . . . 0.0 110.369 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 58.9 m -87.94 106.27 18.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.805 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.79 -149.39 14.89 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.14 72.82 0.41 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -48.45 168.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 110.619 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.37 48.0 1.25 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 67.09 141.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 21.9 m -104.3 -65.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.34 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.46 77.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.716 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 65.6 m -157.5 162.92 38.88 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.202 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 92.2 p -144.11 148.4 35.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.055 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.82 166.52 15.62 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.119 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 97.6 p -164.16 162.31 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.719 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 31.6 t -163.46 158.16 20.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.27 74.47 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.011 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.44 50.01 0.08 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 93' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' G' ' 73' ' ' GLN . 15.8 mp0 -97.65 118.84 35.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.66 136.03 30.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -130.57 122.47 27.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.347 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t 53.62 57.34 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.593 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.741 0.305 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.15 152.85 18.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.066 0.46 . . . . 0.0 111.492 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 81.6 m -128.91 126.0 38.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.605 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.43 139.61 25.69 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.272 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.8 -41.78 9.47 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.425 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.82 172.68 12.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.941 0.401 . . . . 0.0 110.436 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 74.14 70.98 1.17 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.674 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 50' ' ' TYR . . . . . 0.511 ' HD2' ' HH ' ' H' ' 55' ' ' TYR . 67.8 m-85 25.16 72.92 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.76 91.7 0.34 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.22 93.64 0.07 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.918 0.389 . . . . 0.0 110.115 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -158.37 145.41 17.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.37 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 67.9 m -126.7 145.88 50.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.672 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 55' ' ' TYR . . . . . 0.511 ' HH ' ' HD2' ' H' ' 50' ' ' TYR . 92.9 m-85 -131.22 143.42 50.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 48.0 t -146.43 136.84 23.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.726 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -156.81 144.88 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.429 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.2 132.84 56.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.649 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.43 133.41 4.93 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.43 -174.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.854 0.359 . . . . 0.0 110.608 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.52 140.51 23.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.58 67.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.581 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.89 117.56 34.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.505 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -127.99 131.68 49.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.93 -162.02 0.65 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.58 -53.44 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.612 0.244 . . . . 0.0 110.674 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.76 -100.25 1.3 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -111.03 104.52 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.638 0.256 . . . . 0.0 110.433 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.87 174.09 14.37 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.431 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.73 130.6 26.11 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.068 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.34 173.73 3.59 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -91.05 102.11 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.604 2.203 . . . . 0.0 115.193 -175.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' H' ' 93' ' ' GLN . 25.2 mp0 -57.51 133.36 55.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.405 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.99 -91.8 0.32 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 -58.99 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.817 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.36 108.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.62 95.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.247 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 59.5 m -87.97 106.23 17.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.809 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.77 -149.32 14.86 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 72.91 0.4 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -48.46 168.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.651 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.32 48.06 1.25 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 67.07 141.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m -104.41 -65.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.256 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.5 77.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.781 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 65.4 m -157.48 162.97 38.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.973 0.416 . . . . 0.0 111.256 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 92.7 p -144.13 148.4 35.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.84 166.51 15.59 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.125 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 97.0 p -164.08 162.29 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.678 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 31.3 t -163.48 158.27 20.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.36 74.71 0.29 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.25 50.03 0.08 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 93' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' H' ' 73' ' ' GLN . 15.8 mp0 -97.68 118.81 35.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.745 0.307 . . . . 0.0 110.933 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.69 136.1 30.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 43.7 m -130.63 122.44 27.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.382 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.69 57.38 6.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.582 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.641 0.258 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.22 152.67 18.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.036 0.446 . . . . 0.0 111.507 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 75.4 m -128.85 126.23 39.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.642 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.58 140.41 26.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -94.74 -42.29 8.82 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.496 -0.481 . . . . 0.0 111.19 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.52 172.79 12.43 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.585 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 49' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 74.27 70.88 1.18 Allowed Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.711 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 50' ' ' TYR . . . . . 0.508 ' HD2' ' HH ' ' I' ' 55' ' ' TYR . 66.7 m-85 25.15 74.15 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.8 91.65 0.43 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.28 92.97 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.823 0.344 . . . . 0.0 110.089 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -157.78 145.51 18.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.438 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -126.71 145.86 50.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 55' ' ' TYR . . . . . 0.508 ' HH ' ' HD2' ' I' ' 50' ' ' TYR . 92.9 m-85 -131.22 143.54 50.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.375 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.54 136.77 23.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.712 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -156.8 144.84 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.41 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.24 132.9 56.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.44 133.45 4.95 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.35 -174.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.608 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 47.3 t -148.52 140.42 23.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.484 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -170.45 67.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.541 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -104.04 117.61 34.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.525 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 94.0 m -127.89 131.89 49.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.22 -161.87 0.73 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.79 -53.35 25.72 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.83 -100.32 1.31 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 29.5 p -110.92 104.37 12.96 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.82 174.03 14.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.047 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.65 130.93 26.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.912 0.387 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 8.3 p -69.08 174.27 2.96 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -91.01 102.69 0.26 Allowed 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.617 2.211 . . . . 0.0 114.961 -176.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 73' ' ' GLN . . . . . 0.433 ' OE1' ' NE2' ' I' ' 93' ' ' GLN . 25.2 mp0 -58.02 133.71 55.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.14 -91.66 0.32 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.44 -59.24 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.038 0.447 . . . . 0.0 110.734 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.7 108.51 0.01 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.52 95.71 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.858 0.361 . . . . 0.0 110.365 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 60.6 m -87.6 105.75 17.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.815 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.38 -149.11 15.12 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.08 73.21 0.37 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -48.77 168.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.144 0.497 . . . . 0.0 110.512 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.28 48.27 1.24 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.9 t 66.86 141.75 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.957 0.408 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 22.6 m -104.52 -65.57 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.295 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.38 77.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 65.7 m -157.48 162.84 38.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 111.21 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 92.2 p -143.99 148.42 35.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.133 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.95 166.24 15.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.131 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -163.79 162.2 23.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -163.41 158.14 20.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.018 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -164.4 76.47 0.33 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.07 50.03 0.07 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 93' ' ' GLN . . . . . 0.433 ' NE2' ' OE1' ' I' ' 73' ' ' GLN . 15.8 mp0 -97.65 118.7 34.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.84 0.353 . . . . 0.0 110.881 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.66 136.12 30.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 42.3 m -130.66 122.43 27.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.4 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.69 57.33 6.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.462 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.549 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.741 0.305 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.02 160.34 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.758 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -127.02 129.47 48.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.683 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -125.61 146.62 49.62 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.58 -53.25 2.11 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.308 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -135.52 130.2 34.25 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.8 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.81 75.52 0.84 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.378 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 32.05 70.38 0.1 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.63 96.2 0.49 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 68.43 84.22 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.879 0.371 . . . . 0.0 110.258 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -160.93 144.21 13.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.469 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -142.92 125.84 16.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.535 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -63.19 -46.92 84.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.538 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.34 42.02 13.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.787 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.23 127.14 54.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.392 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -62.61 -39.6 94.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.621 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.8 10.09 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -155.37 131.91 10.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 110.399 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.6 m -130.65 148.07 52.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 49.49 63.47 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.629 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -89.96 113.35 24.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -117.03 130.64 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.535 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.63 -162.2 0.92 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -61.68 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 111.034 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.1 -96.57 0.71 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.2 p -117.43 109.13 16.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.111 0.482 . . . . 0.0 110.303 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -151.55 137.41 18.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.761 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -108.91 133.22 53.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.995 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.3 p -72.82 165.23 54.15 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.747 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.4 ' N ' ' OG1' ' B' ' 71' ' ' THR . 40.8 Cg_endo -90.11 105.97 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.77 2.313 . . . . 0.0 114.268 -176.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -57.15 139.69 51.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.281 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.89 87.41 1.14 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 60.91 81.95 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.238 0.542 . . . . 0.0 111.316 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.42 -88.51 0.01 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.5 p -138.24 132.13 31.29 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.405 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.04 96.65 2.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.03 102.55 0.13 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.57 94.26 0.09 OUTLIER Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -80.72 -72.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.034 0.445 . . . . 0.0 110.416 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.68 -58.33 2.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -160.39 137.46 9.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.3 t -139.57 98.13 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.298 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.88 104.3 9.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -146.85 163.67 35.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 111.211 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.68 150.59 48.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.263 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.75 1.77 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.029 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -170.46 158.37 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.485 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.3 m -163.38 173.71 12.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.5 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.37 78.65 0.07 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.392 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.1 49.77 0.12 Allowed Glycine 0 CA--C 1.528 0.85 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.628 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -98.03 113.36 25.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.706 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -131.22 126.44 35.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.54 107.93 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.41 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.15 25.96 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.657 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.755 0.312 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 87.1 p -73.2 160.33 32.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.6 m -127.06 129.26 47.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.709 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -125.25 146.3 49.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.84 -53.19 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.204 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -135.12 130.71 35.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.94 77.96 1.02 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.059 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 29.58 71.0 0.07 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.09 96.24 0.53 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 68.59 83.95 0.15 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.885 0.374 . . . . 0.0 110.213 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -160.78 144.19 13.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -143.03 125.85 16.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.458 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.24 -46.92 84.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.522 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.37 41.94 13.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.801 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.14 126.75 53.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -62.32 -39.54 93.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.684 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.81 132.83 10.1 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.33 131.98 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.702 0.287 . . . . 0.0 110.396 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 62.2 m -130.76 148.02 52.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.649 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.53 63.48 2.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -90.13 113.39 25.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.682 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -116.82 130.67 56.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.604 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.9 -162.14 1.01 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -61.79 1.86 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.698 0.285 . . . . 0.0 110.945 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.4 -96.79 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.32 109.05 16.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.794 0.331 . . . . 0.0 110.199 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -151.5 136.61 17.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 74.5 m -107.92 133.13 52.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' THR . . . . . 0.418 ' C ' ' OG1' ' C' ' 71' ' ' THR . 29.9 p -73.2 166.1 46.75 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.551 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' PRO . . . . . 0.405 ' N ' ' OG1' ' C' ' 71' ' ' THR . 39.6 Cg_endo -90.77 104.29 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 122.967 2.445 . . . . 0.0 114.863 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.36 139.64 42.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.522 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.94 87.44 1.15 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 61.32 82.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 111.213 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.53 -88.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 38.1 p -138.08 132.18 31.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 0.0 110.315 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.87 96.13 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.091 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.92 102.91 0.13 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.69 94.09 0.09 OUTLIER Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.14 -72.09 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 110.434 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.69 -58.24 2.3 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.31 137.55 9.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 110.679 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.63 98.12 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.347 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -120.81 103.44 9.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.523 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.98 163.96 33.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.299 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 92.8 p -136.76 150.47 48.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.249 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.77 176.79 1.8 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 111.118 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 94.0 p -170.49 158.25 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 58.4 m -163.21 173.74 13.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.702 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.52 80.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.234 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.08 49.91 0.1 Allowed Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.599 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.08 113.23 25.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.816 0.341 . . . . 0.0 110.754 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -131.22 126.46 35.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.774 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.46 107.92 11.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.47 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.19 25.86 10.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.733 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.601 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.783 0.325 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.15 160.27 32.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.0 129.29 47.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.662 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.31 146.25 49.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.387 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.78 -53.28 2.08 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.287 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -135.13 130.85 36.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.709 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.8 78.15 1.04 Allowed Glycine 0 C--O 1.222 -0.633 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.041 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 29.29 71.06 0.06 Allowed 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.02 96.27 0.52 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.52 83.96 0.15 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.932 0.396 . . . . 0.0 110.232 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -160.78 144.12 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.548 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -142.94 125.83 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.481 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.14 -46.94 84.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.515 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 59.3 m 47.36 42.0 13.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.731 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.22 126.72 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -62.21 -39.64 93.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.715 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.71 132.8 10.11 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.31 131.99 10.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.765 0.316 . . . . 0.0 110.449 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 61.3 m -130.62 147.98 52.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.734 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.59 63.51 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.614 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -90.3 113.37 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.584 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.5 m -116.87 130.76 56.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.9 -162.17 1.01 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -61.83 1.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 110.929 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.47 -96.83 0.71 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.27 109.02 16.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.793 0.33 . . . . 0.0 110.31 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -151.38 136.72 17.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.796 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 74.1 m -108.12 133.02 52.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.915 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.418 ' OG1' ' C ' ' B' ' 71' ' ' THR . 29.9 p -73.18 166.16 46.21 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.537 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 72' ' ' PRO . . . . . 0.405 ' N ' ' OG1' ' D' ' 71' ' ' THR . 38.6 Cg_endo -90.72 104.04 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 123.009 2.472 . . . . 0.0 114.972 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.13 139.59 41.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.523 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.09 87.48 1.16 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.24 82.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.954 0.407 . . . . 0.0 111.147 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.58 -88.38 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 37.5 p -138.02 132.17 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.236 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.9 96.24 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.093 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.97 103.01 0.14 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.71 94.05 0.09 OUTLIER Glycine 0 CA--C 1.519 0.33 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -81.18 -72.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.67 -58.26 2.29 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -160.4 137.42 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.697 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.53 98.14 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.384 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.86 103.31 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.82 163.99 33.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.225 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 92.7 p -136.78 150.44 48.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.228 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.75 176.76 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.082 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.5 p -170.43 158.28 6.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.427 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.3 173.69 12.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.752 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.51 80.62 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.202 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.32 50.08 0.1 Allowed Glycine 0 CA--C 1.527 0.823 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.473 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.16 113.19 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.705 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.22 126.48 35.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 107.95 11.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.402 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.2 25.9 10.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.649 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.525 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.792 0.33 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.07 160.4 32.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.028 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -127.19 129.13 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -125.17 146.16 49.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.79 -53.27 2.08 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -135.07 131.03 36.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.821 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.75 78.08 1.04 Allowed Glycine 0 C--O 1.222 -0.642 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.018 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 50' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' E' ' 49' ' ' GLY . 10.7 m-85 29.21 71.24 0.06 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.06 96.22 0.53 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.61 84.02 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.872 0.368 . . . . 0.0 110.2 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.87 143.98 13.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.639 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -142.86 125.81 16.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -63.15 -47.06 84.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.461 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m 47.49 42.01 13.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.766 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.29 126.59 53.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -62.11 -39.59 93.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.783 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.77 132.75 10.06 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.21 132.05 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.7 0.286 . . . . 0.0 110.439 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 61.6 m -130.72 147.93 52.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.749 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 49.52 63.56 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.958 0.409 . . . . 0.0 110.578 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -90.19 113.43 25.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.634 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.7 m -117.05 130.59 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.61 -162.06 0.89 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -61.48 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.609 0.242 . . . . 0.0 110.973 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.16 -96.81 0.72 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.25 108.93 16.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.773 0.32 . . . . 0.0 110.366 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -151.45 136.69 17.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.807 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 74.5 m -107.98 133.1 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.963 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 71' ' ' THR . . . . . 0.42 ' C ' ' OG1' ' E' ' 71' ' ' THR . 30.0 p -73.28 166.2 45.96 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 72' ' ' PRO . . . . . 0.417 ' HB3' ' C ' ' E' ' 72' ' ' PRO . 38.4 Cg_endo -90.83 104.09 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 123.032 2.488 . . . . 0.0 114.986 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.2 139.57 41.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.578 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.01 87.46 1.15 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 61.15 82.23 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.98 0.419 . . . . 0.0 111.204 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.55 -88.32 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 39.4 p -138.03 132.31 32.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.31 . . . . 0.0 110.255 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.04 96.04 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.377 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.67 102.86 0.13 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.75 94.03 0.09 OUTLIER Glycine 0 CA--C 1.519 0.305 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.02 -72.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.6 -58.16 2.32 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.43 137.55 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.659 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.63 98.09 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.364 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.81 103.38 9.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.86 163.93 33.54 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.238 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 92.9 p -136.79 150.49 48.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.79 176.73 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 0.0 111.064 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -170.39 158.36 6.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.401 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.36 173.53 13.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.652 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.49 80.68 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.17 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.26 50.02 0.1 Allowed Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.597 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.1 113.11 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 110.763 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.16 126.44 35.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.692 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.47 107.84 11.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.49 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.25 25.85 10.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.76 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.787 0.327 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.09 160.33 32.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.5 m -127.17 129.32 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.665 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -125.12 146.3 49.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.58 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 47' ' ' THR . . . . . 0.414 HG22 ' N ' ' E' ' 48' ' ' SER . 1.1 m -121.76 -51.21 2.04 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 119.38 -0.928 . . . . 0.0 112.157 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 48' ' ' SER . . . . . 0.414 ' N ' HG22 ' E' ' 47' ' ' THR . 40.4 t -131.28 128.83 40.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.234 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.72 71.95 0.63 Allowed Glycine 0 C--O 1.216 -0.993 0 C-N-CA 118.104 -1.998 . . . . 0.0 113.212 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 50' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' E' ' 49' ' ' GLY . 11.6 m-85 29.09 75.63 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.266 0.555 . . . . 0.0 111.213 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.49 93.88 0.55 Allowed Glycine 0 CA--C 1.518 0.225 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 69.38 84.23 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.987 0.423 . . . . 0.0 110.198 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -160.89 144.14 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.5 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.87 125.89 16.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.546 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -63.14 -46.98 84.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.569 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 57.5 m 47.34 41.95 13.14 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.16 126.66 53.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.922 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -62.18 -39.63 93.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.638 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.82 132.75 10.06 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.22 132.08 10.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.758 0.313 . . . . 0.0 110.378 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 62.3 m -130.82 148.04 52.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.27 63.94 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.611 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -90.5 113.74 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.578 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -117.09 130.68 56.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.432 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.59 -162.26 0.91 Allowed Glycine 0 CA--C 1.524 0.637 0 O-C-N 124.017 0.823 . . . . 0.0 111.131 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.89 -61.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.592 0.234 . . . . 0.0 111.035 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.22 -97.03 0.72 Allowed Glycine 0 N--CA 1.464 0.537 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.08 108.88 16.26 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -151.28 137.38 18.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 0.0 110.787 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 72.9 m -108.78 133.75 52.42 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.668 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 71' ' ' THR . . . . . 0.422 ' C ' ' OG1' ' F' ' 71' ' ' THR . 30.2 p -73.5 166.26 45.59 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.585 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 72' ' ' PRO . . . . . 0.417 ' C ' ' HB3' ' D' ' 72' ' ' PRO . 42.4 Cg_endo -91.91 108.03 0.25 Allowed 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 121.869 1.713 . . . . 0.0 113.899 -176.041 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -57.63 140.04 52.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.297 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.82 87.31 1.14 Allowed Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 62.1 80.42 0.23 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.453 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.62 -90.27 0.01 OUTLIER Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 42.1 p -136.93 132.63 34.71 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.018 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.4 99.03 2.87 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.742 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.26 105.84 0.55 Allowed Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.87 97.31 0.21 Allowed Glycine 0 C--N 1.335 0.503 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -82.12 -73.4 0.39 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.07 0.462 . . . . 0.0 110.462 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.14 -58.13 2.38 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.3 137.58 9.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.67 0.272 . . . . 0.0 110.615 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 32.9 t -139.5 97.22 3.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.72 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.12 102.46 8.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.0 110.64 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.76 163.39 35.11 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.007 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 92.8 p -136.64 150.44 48.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.278 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.8 1.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.109 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -169.88 158.51 7.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.469 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -162.83 174.12 12.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.851 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.28 79.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.455 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.74 49.46 0.11 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.606 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -96.32 112.82 24.43 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 122.856 -0.203 . . . . 0.0 111.136 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.07 126.6 36.26 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.799 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.37 108.05 11.78 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.527 0.517 . . . . 0.0 110.089 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.2 25.93 10.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.831 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.68 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.04 160.32 32.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -127.09 129.28 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.625 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.24 146.16 49.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.8 -53.36 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.183 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -135.07 130.61 35.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.801 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 108.98 78.48 1.06 Allowed Glycine 0 C--O 1.222 -0.615 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.925 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' F' ' 49' ' ' GLY . 10.4 m-85 29.05 71.18 0.06 Allowed 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.16 96.17 0.53 Allowed Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.65 83.91 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.86 0.362 . . . . 0.0 110.192 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -160.85 144.11 13.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.604 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.89 125.81 16.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.592 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -63.23 -46.91 84.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.481 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.33 42.06 13.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 77.5 p -109.3 126.64 53.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -62.09 -39.67 93.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.731 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.73 132.78 10.09 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.27 132.12 10.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.32 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -130.84 147.97 52.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.626 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.57 63.46 2.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.679 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -90.19 113.47 25.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.593 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.9 130.83 56.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.427 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.02 -161.97 1.02 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.94 -61.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.621 0.248 . . . . 0.0 110.908 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.42 -96.87 0.71 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.14 109.13 16.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -151.46 136.7 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.786 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 74.7 m -108.05 133.03 52.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.028 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 71' ' ' THR . . . . . 0.422 ' OG1' ' C ' ' E' ' 71' ' ' THR . 30.0 p -73.21 166.13 46.46 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 72' ' ' PRO . . . . . 0.409 ' C ' ' HB3' ' E' ' 72' ' ' PRO . 38.9 Cg_endo -90.75 104.01 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 123.017 2.478 . . . . 0.0 114.978 -175.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.08 139.48 41.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.561 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.07 87.58 1.16 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.4 81.94 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.874 0.369 . . . . 0.0 111.154 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.46 -88.37 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 38.1 p -138.03 132.2 31.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.213 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.85 96.13 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.063 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.93 102.93 0.14 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.65 94.02 0.09 OUTLIER Glycine 0 CA--C 1.518 0.274 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -81.0 -72.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.467 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.66 -58.17 2.31 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 47.8 t -160.43 137.42 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.662 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.59 98.19 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.324 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.81 103.36 9.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.494 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.92 163.96 33.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.922 0.391 . . . . 0.0 111.176 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 93.0 p -136.77 150.54 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.307 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.81 176.72 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -170.43 158.27 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.469 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.28 173.71 12.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.789 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.43 80.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.26 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.2 49.97 0.1 Allowed Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.633 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.04 113.14 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.735 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.17 126.48 35.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.748 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.48 107.88 11.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.15 25.95 10.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.676 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.86 0.362 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.08 160.37 32.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.17 129.24 47.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -125.24 146.29 49.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.413 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.88 -53.34 2.07 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -135.03 130.86 36.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.845 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 108.81 78.13 1.04 Allowed Glycine 0 C--O 1.223 -0.585 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.033 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' G' ' 49' ' ' GLY . 10.5 m-85 29.45 71.06 0.07 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.1 96.23 0.53 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.61 83.86 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.39 . . . . 0.0 110.258 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.76 144.14 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.92 125.82 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -63.27 -46.91 84.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.461 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m 47.3 42.04 13.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.22 126.69 53.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -62.15 -39.61 93.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.729 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.76 132.77 10.08 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -155.3 132.07 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.726 0.298 . . . . 0.0 110.411 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 62.2 m -130.73 147.99 52.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.56 63.42 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.659 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -90.11 113.4 25.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.86 130.72 56.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -162.09 0.99 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -61.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.609 0.242 . . . . 0.0 110.927 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.43 -96.84 0.71 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.17 108.96 16.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.752 0.31 . . . . 0.0 110.258 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -151.47 136.71 17.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.758 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 74.3 m -108.13 133.09 52.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 71' ' ' THR . . . . . 0.419 ' OG1' ' C ' ' F' ' 71' ' ' THR . 30.2 p -73.29 166.25 45.51 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.484 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 72' ' ' PRO . . . . . 0.408 ' HB3' ' C ' ' H' ' 72' ' ' PRO . 38.5 Cg_endo -90.75 103.92 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 123.039 2.493 . . . . 0.0 115.001 -175.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.0 139.53 40.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.569 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.02 87.38 1.16 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.3 82.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 111.179 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.56 -88.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 40.3 p -138.21 132.23 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.174 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.86 96.19 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.94 103.01 0.14 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.7 94.1 0.09 OUTLIER Glycine 0 CA--C 1.519 0.326 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -81.19 -72.1 0.44 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.442 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.63 -58.24 2.3 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -160.41 137.47 9.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.627 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.57 98.11 3.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.331 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.77 103.36 9.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.91 163.95 33.53 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.266 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.74 150.56 48.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.236 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.74 1.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.101 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -170.39 158.3 6.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.484 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.29 173.63 13.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.827 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.5 80.69 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.202 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.34 50.14 0.1 Allowed Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.551 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.2 113.15 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.849 0.357 . . . . 0.0 110.715 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.19 126.47 35.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.764 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.55 107.9 11.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.388 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.28 25.78 10.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.723 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.62 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.808 0.337 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 87.1 p -73.13 160.37 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.14 129.2 47.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.24 146.24 49.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.422 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.88 -53.26 2.07 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.202 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -135.07 130.8 36.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.763 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 108.9 78.07 1.03 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.038 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' H' ' 49' ' ' GLY . 10.5 m-85 29.36 71.09 0.06 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.09 96.28 0.53 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.58 83.96 0.15 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 110.265 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.84 144.08 13.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.593 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.5 t -142.86 125.84 16.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.563 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.18 -46.96 84.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.503 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 58.4 m 47.35 41.99 13.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.794 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.21 126.7 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.906 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -62.22 -39.63 93.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.658 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.79 10.09 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -155.36 132.06 10.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.307 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 62.1 m -130.76 147.99 52.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.61 63.45 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -90.24 113.43 25.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.652 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.85 130.79 56.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.93 -162.02 1.0 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.93 -61.85 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.568 0.223 . . . . 0.0 110.92 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.48 -96.88 0.71 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.15 108.97 16.33 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -151.42 136.84 17.7 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.779 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 74.2 m -108.19 133.14 52.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 71' ' ' THR . . . . . 0.417 ' OG1' ' C ' ' G' ' 71' ' ' THR . 30.1 p -73.27 166.17 46.19 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.534 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 72' ' ' PRO . . . . . 0.408 ' C ' ' HB3' ' G' ' 72' ' ' PRO . 39.6 Cg_endo -90.68 103.95 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.997 2.465 . . . . 0.0 114.95 -175.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.01 139.6 40.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.607 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.99 87.48 1.15 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.38 82.14 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.54 -88.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 39.4 p -138.1 132.2 31.69 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.224 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.88 96.12 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.057 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.84 103.01 0.14 Allowed Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.72 94.07 0.09 OUTLIER Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.18 -72.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.69 -58.12 2.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.43 137.47 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.796 0.332 . . . . 0.0 110.647 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 33.0 t -139.62 98.16 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.362 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.83 103.25 8.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.8 163.95 33.41 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.263 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.8 150.51 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.217 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.85 176.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.104 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 93.8 p -170.4 158.28 6.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.464 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 58.6 m -163.28 173.59 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.51 80.96 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.182 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.46 50.03 0.1 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.582 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.05 113.14 24.92 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.719 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.15 126.5 35.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.753 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 107.88 11.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.2 25.95 10.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.708 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.574 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.834 0.35 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 86.7 p -72.99 160.36 32.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -127.2 129.12 47.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.66 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -125.4 145.4 50.07 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.513 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -120.36 -53.85 2.11 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.162 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -134.45 131.07 37.68 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.796 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 108.81 78.19 1.04 Allowed Glycine 0 C--O 1.223 -0.569 0 C-N-CA 120.355 -0.926 . . . . 0.0 111.938 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' I' ' 49' ' ' GLY . 10.5 m-85 29.09 72.82 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.42 96.18 0.63 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 68.52 83.56 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.886 0.374 . . . . 0.0 110.277 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -160.41 144.17 13.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.573 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.95 125.83 16.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.502 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.18 -46.98 84.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 58.3 m 47.45 41.89 13.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.791 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.19 126.76 53.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.393 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -62.26 -39.57 93.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.643 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.71 10.04 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.29 132.08 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.312 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 61.4 m -130.73 148.0 52.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.631 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.55 63.43 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.668 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -90.18 113.4 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.66 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -116.71 130.81 56.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.01 -161.94 1.01 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.07 -61.65 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.887 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.34 -96.95 0.72 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 46.2 p -117.05 108.79 16.17 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -151.23 136.81 17.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.58 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 74.8 m -108.02 133.08 52.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 71' ' ' THR . . . . . 0.404 ' OG1' ' C ' ' H' ' 71' ' ' THR . 30.8 p -72.47 167.29 34.2 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -91.09 104.76 0.27 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.978 2.452 . . . . 0.0 114.813 -177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -55.66 139.96 42.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.565 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.17 87.49 1.17 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.57 82.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.287 -0.165 . . . . 0.0 110.961 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.58 -88.1 0.01 OUTLIER Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 39.2 p -137.98 132.17 31.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.81 96.18 2.42 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.027 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.14 103.25 0.16 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.62 94.66 0.09 OUTLIER Glycine 0 CA--C 1.521 0.412 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -82.51 -71.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.264 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.64 -58.09 2.33 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 48.1 t -160.43 137.54 9.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.713 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.66 98.1 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.385 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.79 103.27 8.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.42 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.84 163.6 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.2 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 92.6 p -136.43 150.42 48.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.273 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.88 176.35 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.087 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -169.98 158.45 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.517 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 58.6 m -163.38 173.12 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.905 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.18 82.85 0.08 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.69 50.04 0.09 OUTLIER Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.608 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -98.08 113.07 24.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.27 126.46 35.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.5 107.93 11.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.447 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.21 25.91 10.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.671 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.626 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.744 0.307 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.6 p -69.8 157.37 37.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.294 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.2 m -129.16 122.63 30.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.817 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -150.59 125.72 9.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.6 m -50.1 -60.9 2.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.26 0.552 . . . . 0.0 110.016 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -131.55 -95.82 0.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.091 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.31 51.74 20.19 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.659 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.433 ' OH ' ' ND2' ' B' ' 63' ' ' ASN . 0.2 OUTLIER 48.96 -168.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.455 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.56 -53.0 1.36 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -164.06 -81.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.657 0.265 . . . . 0.0 110.438 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -130.19 126.91 38.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.894 0.378 . . . . 0.0 110.682 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.1 p -103.26 148.81 25.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.245 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -121.21 138.82 54.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.9 m -155.56 141.27 17.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.473 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.7 p -156.65 148.89 23.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.7 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.27 177.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.904 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.35 153.72 25.29 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.88 -40.18 92.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.7 m -91.8 178.75 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.558 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.88 -177.65 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.638 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -58.29 119.69 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.697 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.5 m -126.93 139.21 53.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.438 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.1 -161.86 0.1 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.31 -49.38 44.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.61 -99.85 1.35 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.02 110.91 19.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 0.0 110.219 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.45 7.95 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.802 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.8 m -125.4 120.87 32.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.947 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.406 HG22 ' HD2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -85.99 171.75 9.84 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.767 -179.328 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.406 ' HD2' HG22 ' A' ' 71' ' ' THR . 73.4 Cg_exo -42.96 169.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 123.187 2.591 . . . . 0.0 113.584 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -98.97 -158.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.498 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.68 91.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -177.63 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.727 0.298 . . . . 0.0 110.889 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.05 -173.07 3.05 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.61 86.85 4.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.727 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.402 ' OG1' HG22 ' B' ' 78' ' ' THR . 43.0 p -67.42 158.36 31.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.004 0.43 . . . . 0.0 109.992 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.71 -158.61 4.4 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.74 -80.3 1.42 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -54.08 174.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.853 0.358 . . . . 0.0 110.714 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.69 -36.89 3.29 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 t 73.18 131.11 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.85 0.357 . . . . 0.0 110.687 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.1 t -117.39 122.57 44.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.475 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.87 104.59 7.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.436 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.01 174.3 10.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.104 0.478 . . . . 0.0 111.222 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.46 138.22 23.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.924 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.92 -166.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.558 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -165.32 169.61 15.62 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.334 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.67 118.3 22.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.061 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -130.81 101.61 5.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.754 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.64 53.56 0.63 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.49 110.79 23.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.66 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.44 132.44 27.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.834 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.6 m -127.65 128.03 44.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.298 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.3 79.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.593 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.816 0.341 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -69.9 157.48 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.317 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.3 m -129.26 122.81 30.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -150.75 125.76 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.471 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.37 -61.25 2.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.029 0.443 . . . . 0.0 109.872 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -131.31 -95.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.03 53.86 13.54 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.475 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.431 ' OH ' ' ND2' ' C' ' 63' ' ' ASN . 0.2 OUTLIER 46.82 -168.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 0.0 110.748 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.91 -53.01 1.32 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.21 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.605 0.24 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 69.6 m -130.0 127.03 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 98.3 p -103.26 148.74 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.286 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -121.21 138.8 54.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 70.0 m -155.53 141.33 18.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.517 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 94.1 p -156.69 148.81 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.709 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.35 177.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.37 153.23 24.47 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.41 -40.15 89.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.571 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -91.79 178.94 5.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.49 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -152.07 -177.71 6.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.626 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.433 ' ND2' ' OH ' ' A' ' 50' ' ' TYR . 38.4 t30 -58.24 119.68 7.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.723 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 91.7 m -126.8 139.34 53.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.429 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.3 -161.77 0.11 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.5 -49.4 45.91 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.674 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.66 -100.06 1.37 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.55 110.85 19.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 110.175 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.53 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.906 -0.718 . . . . 0.0 111.722 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -125.44 120.84 32.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.857 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' THR . . . . . 0.405 HG22 ' HD2' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -85.66 171.93 9.65 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.596 -179.324 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 72' ' ' PRO . . . . . 0.405 ' HD2' HG22 ' B' ' 71' ' ' THR . 69.1 Cg_exo -42.72 170.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 123.258 2.638 . . . . 0.0 113.404 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -100.86 -158.8 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.0 91.83 0.01 OUTLIER Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -176.99 -41.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.772 0.32 . . . . 0.0 110.725 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.82 -173.05 3.75 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -95.54 86.81 4.55 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.61 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.408 ' OG1' HG22 ' C' ' 78' ' ' THR . 43.4 p -66.99 158.63 30.44 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.025 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.18 -158.27 4.65 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.6 -80.1 1.41 Allowed Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -54.37 174.07 0.07 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.93 0.395 . . . . 0.0 110.898 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.17 -37.47 3.27 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.85 130.93 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.852 0.358 . . . . 0.0 110.628 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 44.3 t -117.18 122.68 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.85 103.37 6.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.646 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.77 174.54 10.47 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.414 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.41 138.06 23.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.889 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.65 -166.22 0.24 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.702 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -165.36 169.61 15.56 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.509 -0.477 . . . . 0.0 111.28 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.59 118.18 22.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.067 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -131.14 102.06 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.33 54.24 0.62 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -96.64 110.67 23.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.802 0.334 . . . . 0.0 110.674 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.43 132.49 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 66.5 m -127.62 128.13 45.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.361 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.2 79.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.565 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.717 0.294 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 82.7 p -69.81 157.42 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.313 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -129.32 122.81 30.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.802 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -150.71 125.82 9.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.481 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.43 -61.31 2.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 109.888 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -131.28 -95.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.12 53.81 13.98 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.426 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' TYR . . . . . 0.432 ' OH ' ' ND2' ' D' ' 63' ' ' ASN . 0.2 OUTLIER 46.86 -168.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.853 0.358 . . . . 0.0 110.819 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.91 -52.98 1.33 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.29 -81.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.618 0.247 . . . . 0.0 110.437 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 70.0 m -130.02 126.93 38.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.954 0.407 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.16 148.72 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.334 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -121.19 138.87 54.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.91 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 69.7 m -155.61 141.33 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.48 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 93.8 p -156.72 148.78 22.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.756 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.26 177.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.27 153.21 24.28 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.33 -40.24 89.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.563 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 66.3 m -91.79 178.88 5.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -152.01 -177.63 6.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.638 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 63' ' ' ASN . . . . . 0.431 ' ND2' ' OH ' ' B' ' 50' ' ' TYR . 38.5 t30 -58.35 119.77 7.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -126.85 139.49 53.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.431 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.39 -161.7 0.11 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.53 -49.43 46.09 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.67 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.7 -100.05 1.36 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.59 110.87 19.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.27 171.55 7.86 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.813 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 71.0 m -125.39 120.75 31.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.875 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.406 HG22 ' HD2' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -85.6 171.9 9.73 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.619 -179.386 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 72' ' ' PRO . . . . . 0.406 ' HD2' HG22 ' C' ' 71' ' ' THR . 69.2 Cg_exo -42.63 170.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 123.299 2.666 . . . . 0.0 113.398 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.03 -158.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.92 91.89 0.01 OUTLIER Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -176.96 -41.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.92 -173.11 3.82 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.58 86.73 4.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.666 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.408 HG22 ' OG1' ' B' ' 78' ' ' THR . 43.5 p -66.97 158.75 30.09 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.18 -158.26 4.64 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.67 -80.07 1.41 Allowed Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -54.47 174.02 0.07 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.761 0.315 . . . . 0.0 110.994 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.19 -37.48 3.27 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.97 130.96 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.588 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.29 122.52 44.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.72 103.42 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.705 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.8 174.59 10.42 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.4 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.34 138.05 23.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.993 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.68 -166.23 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.68 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.6 p -165.32 169.48 15.77 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.346 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.44 118.22 22.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.114 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -131.18 102.16 5.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.13 54.42 0.62 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.72 110.76 23.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.45 132.47 27.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 66.1 m -127.63 128.05 44.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.23 79.78 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.633 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.579 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.829 0.347 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 82.7 p -69.94 157.61 37.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.409 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 98.3 m -129.5 122.51 29.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.097 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -150.45 125.64 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.472 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 19.4 m -50.43 -60.95 2.49 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 9.7 t -131.45 -95.62 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.12 53.93 13.67 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.509 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 50' ' ' TYR . . . . . 0.428 ' OH ' ' ND2' ' E' ' 63' ' ' ASN . 0.2 OUTLIER 46.82 -168.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.649 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.95 -52.88 1.33 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.3 -81.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -129.97 126.94 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.17 148.79 25.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.343 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -121.26 138.82 54.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.874 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 69.6 m -155.53 141.33 18.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.505 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 93.5 p -156.69 148.82 23.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.736 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.22 177.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.45 153.17 24.5 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.3 -40.26 89.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 110.511 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 66.2 m -91.94 178.77 5.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.489 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.85 -177.6 6.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 63' ' ' ASN . . . . . 0.432 ' ND2' ' OH ' ' C' ' 50' ' ' TYR . 38.6 t30 -58.39 119.7 7.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.622 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.88 139.33 53.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.53 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -161.68 0.1 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.51 -49.31 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.729 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.49 -100.02 1.38 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.55 110.67 19.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.16 171.59 7.95 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.723 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 71.2 m -125.46 120.91 32.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.869 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 71' ' ' THR . . . . . 0.409 HG22 ' HD2' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -85.79 171.97 9.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.531 -179.262 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 72' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' D' ' 71' ' ' THR . 69.7 Cg_exo -42.69 170.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 123.203 2.602 . . . . 0.0 113.432 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.04 -158.78 0.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.98 91.73 0.01 OUTLIER Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -176.84 -41.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 110.784 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.89 -173.16 3.78 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -95.52 86.82 4.56 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.64 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 78' ' ' THR . . . . . 0.411 ' OG1' HG22 ' E' ' 78' ' ' THR . 43.3 p -66.99 158.64 30.43 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.2 4.65 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.55 -80.08 1.41 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -54.39 174.25 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.951 0.405 . . . . 0.0 110.915 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.96 -37.51 3.25 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.96 131.0 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.621 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 44.2 t -117.21 122.6 44.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.541 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.78 103.35 6.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.773 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.73 174.43 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.416 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.22 138.07 23.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.956 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.66 -166.33 0.25 Allowed 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.672 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -165.19 169.52 15.95 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.227 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.48 118.21 22.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.107 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -131.36 101.99 5.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.928 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.33 54.36 0.62 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.67 110.67 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.38 132.45 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 65.7 m -127.57 127.97 44.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.414 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.39 79.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.565 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.79 0.329 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 82.9 p -69.94 157.47 37.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.386 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -129.26 122.42 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -150.06 126.7 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.632 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -52.6 -60.03 3.74 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.216 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -130.46 -95.01 0.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.722 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 50.59 49.37 40.16 Favored Glycine 0 C--N 1.343 0.931 0 C-N-CA 119.72 -1.229 . . . . 0.0 112.059 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 50' ' ' TYR . . . . . 0.428 ' OH ' ' ND2' ' F' ' 63' ' ' ASN . 0.2 OUTLIER 49.28 -168.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.377 0.608 . . . . 0.0 110.247 -178.844 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.54 -52.82 1.28 Allowed Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -163.9 -83.99 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -129.21 127.29 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.314 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -103.86 148.5 26.07 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.967 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.03 138.87 53.96 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.857 0.361 . . . . 0.0 110.984 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 69.2 m -155.53 141.23 17.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.652 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 94.7 p -156.69 148.82 23.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.72 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.32 177.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.36 153.24 24.48 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.45 -40.18 90.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.798 0.332 . . . . 0.0 110.492 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.86 178.87 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.9 -177.53 6.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.681 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 63' ' ' ASN . . . . . 0.428 ' ND2' ' OH ' ' D' ' 50' ' ' TYR . 38.3 t30 -58.24 119.19 6.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 92.0 m -126.53 139.25 53.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.88 -162.23 0.1 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -48.87 -50.32 35.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.669 0.271 . . . . 0.0 110.309 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.12 -100.16 1.34 Allowed Glycine 0 N--CA 1.463 0.466 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.59 110.17 18.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.7 0.286 . . . . 0.0 110.267 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -168.41 171.81 8.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.803 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 70.5 m -125.7 121.77 34.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.795 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.56 171.9 9.33 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.554 1.159 . . . . 0.0 110.162 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -43.12 171.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.501 1.963 0 C-N-CA 123.151 2.568 . . . . 0.0 113.286 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -100.83 -159.4 0.73 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.816 -1.083 . . . . 0.0 108.237 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.24 90.71 0.01 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -176.61 -40.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.623 0.249 . . . . 0.0 111.157 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.53 -173.25 3.41 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -94.97 86.01 4.52 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.158 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 78' ' ' THR . . . . . 0.411 HG22 ' OG1' ' D' ' 78' ' ' THR . 44.7 p -66.59 158.5 29.67 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -157.66 4.34 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.86 -80.43 1.42 Allowed Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -54.11 174.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.669 0.271 . . . . 0.0 111.537 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.06 -38.02 3.17 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.705 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t 74.04 131.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.026 0.441 . . . . 0.0 110.307 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 43.9 t -117.8 121.88 41.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.407 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.07 102.34 6.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.609 0.719 . . . . 0.0 111.284 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.7 173.67 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.261 -0.899 . . . . 0.0 110.981 -177.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.24 138.01 23.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.835 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.47 -166.45 0.26 Allowed 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 121.872 0.844 . . . . 0.0 110.866 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p -164.13 171.01 15.64 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.837 -1.165 . . . . 0.0 111.458 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.87 117.69 21.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.598 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -130.28 100.59 5.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.261 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 109.11 53.99 0.59 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -96.11 110.64 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.57 0.224 . . . . 0.0 110.75 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.42 132.63 28.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.818 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 66.1 m -127.56 127.94 44.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.23 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.41 79.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.638 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.579 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.809 0.337 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 82.9 p -69.85 157.44 37.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -129.2 123.0 30.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -150.83 125.92 9.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.533 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 19.9 m -50.33 -61.54 2.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.059 0.457 . . . . 0.0 109.847 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -131.15 -95.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.17 53.87 13.99 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.467 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 50' ' ' TYR . . . . . 0.43 ' OH ' ' ND2' ' G' ' 63' ' ' ASN . 0.2 OUTLIER 46.68 -168.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.94 -53.08 1.31 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.23 -81.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.634 0.254 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -130.0 126.87 38.79 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 98.7 p -103.2 148.77 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.312 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.19 138.78 54.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.89 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 69.7 m -155.54 141.29 18.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.52 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 94.2 p -156.68 148.85 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.705 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.19 177.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.29 153.24 24.36 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.36 -40.28 90.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.475 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 66.5 m -91.87 178.92 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.514 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.94 -177.6 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.732 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 63' ' ' ASN . . . . . 0.428 ' ND2' ' OH ' ' E' ' 50' ' ' TYR . 38.4 t30 -58.45 119.75 7.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.645 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.75 139.56 53.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.3 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.48 -161.57 0.11 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.42 -49.67 44.0 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.726 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.84 -100.04 1.35 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.52 110.95 20.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.27 171.73 7.74 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.934 -0.707 . . . . 0.0 111.764 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 70.8 m -125.49 120.68 31.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.949 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 71' ' ' THR . . . . . 0.407 HG22 ' HD2' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -85.55 172.01 9.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.628 -179.367 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' F' F ' 72' ' ' PRO . . . . . 0.407 ' HD2' HG22 ' F' ' 71' ' ' THR . 67.8 Cg_exo -42.77 170.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 123.301 2.667 . . . . 0.0 113.346 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -101.04 -158.88 0.7 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.94 91.82 0.01 OUTLIER Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -176.85 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.715 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.95 -173.07 3.86 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -95.64 86.8 4.52 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.704 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 78' ' ' THR . . . . . 0.41 HG22 ' OG1' ' E' ' 78' ' ' THR . 43.5 p -66.96 158.73 30.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.04 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.11 -158.23 4.56 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.69 -80.09 1.41 Allowed Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -54.5 173.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.947 0.403 . . . . 0.0 110.879 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.22 -37.37 3.28 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.85 130.89 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.699 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.19 122.69 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.86 103.3 6.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.706 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.64 174.67 10.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.448 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.39 137.98 23.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.908 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.52 -166.28 0.25 Allowed 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.746 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -165.4 169.5 15.63 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.305 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.57 118.12 22.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.157 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -130.99 102.14 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.668 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.17 54.36 0.62 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.68 110.7 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.641 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.48 132.47 27.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.755 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 66.2 m -127.58 128.03 44.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.436 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.38 79.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.656 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.579 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.78 0.324 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -69.91 157.38 37.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.34 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 96.1 m -129.15 122.77 30.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -150.66 125.8 9.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.481 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.49 -61.29 2.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 109.869 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -131.26 -95.56 0.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.13 53.87 13.85 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.452 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 50' ' ' TYR . . . . . 0.429 ' OH ' ' ND2' ' H' ' 63' ' ' ASN . 0.2 OUTLIER 46.81 -168.37 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.825 0.345 . . . . 0.0 110.832 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.15 -52.98 1.3 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.22 -81.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 110.442 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -129.91 127.04 39.34 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -103.26 148.69 25.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.321 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.11 138.79 54.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 69.5 m -155.48 141.29 18.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.538 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -156.64 148.89 23.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.705 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.2 177.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.976 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.3 153.26 24.41 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.41 -40.13 89.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.517 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.94 178.86 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.511 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.9 -177.55 6.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.703 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 63' ' ' ASN . . . . . 0.43 ' ND2' ' OH ' ' F' ' 50' ' ' TYR . 38.5 t30 -58.48 119.71 7.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.78 139.42 53.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.392 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -161.76 0.11 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.38 -49.48 44.38 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.705 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.66 -100.14 1.38 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.53 110.86 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.693 0.282 . . . . 0.0 110.242 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.63 7.84 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.782 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 71.2 m -125.51 120.72 31.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.869 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 71' ' ' THR . . . . . 0.409 HG22 ' HD2' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -85.58 172.01 9.53 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.562 -179.266 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' G' G ' 72' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' G' ' 71' ' ' THR . 68.6 Cg_exo -42.8 170.8 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 123.322 2.682 . . . . 0.0 113.319 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -100.96 -158.88 0.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.82 91.75 0.01 OUTLIER Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -176.89 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.806 0.336 . . . . 0.0 110.804 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.93 -173.09 3.84 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.5 86.72 4.55 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.673 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 78' ' ' THR . . . . . 0.41 ' OG1' HG22 ' H' ' 78' ' ' THR . 43.5 p -66.95 158.72 30.11 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.25 4.68 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.65 -80.04 1.41 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -54.53 174.12 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.22 -37.65 3.26 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 74.0 130.95 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.815 0.341 . . . . 0.0 110.639 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.26 122.57 44.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.74 103.27 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.67 174.62 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.115 0.483 . . . . 0.0 111.398 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.35 137.99 23.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.908 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.61 -166.27 0.25 Allowed 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.666 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -165.31 169.5 15.77 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.33 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.54 118.19 22.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.15 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -131.14 102.11 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.808 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.17 54.54 0.62 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.85 110.69 23.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.6 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -140.45 132.54 27.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.751 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 66.0 m -127.63 128.01 44.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.398 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.38 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.674 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.615 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.823 0.344 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -69.86 157.42 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.368 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 97.4 m -129.23 122.72 30.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -150.59 125.82 10.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.518 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.48 -61.25 2.3 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.562 -0.455 . . . . 0.0 109.858 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -131.3 -95.53 0.36 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.02 53.79 13.68 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.51 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.91 -168.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.947 0.403 . . . . 0.0 110.721 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.1 -52.93 1.31 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -164.28 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.607 0.241 . . . . 0.0 110.396 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -129.99 127.01 39.13 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.23 148.76 25.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.257 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -121.21 138.74 54.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 69.5 m -155.5 141.33 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.548 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -156.62 148.83 23.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.712 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.28 177.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.27 153.23 24.31 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.35 -40.28 90.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.496 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.8 178.81 5.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.88 -177.57 6.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 63' ' ' ASN . . . . . 0.429 ' ND2' ' OH ' ' G' ' 50' ' ' TYR . 38.5 t30 -58.4 119.66 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.73 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 92.8 m -126.77 139.57 53.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.371 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.43 -161.52 0.1 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.67 -49.41 47.58 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.626 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.7 -100.17 1.38 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.48 110.93 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.3 171.65 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.717 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 70.9 m -125.48 120.84 32.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.834 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 71' ' ' THR . . . . . 0.406 HG22 ' HD2' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -85.68 171.98 9.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.552 -179.328 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' H' H ' 72' ' ' PRO . . . . . 0.406 ' HD2' HG22 ' H' ' 71' ' ' THR . 69.0 Cg_exo -42.68 170.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 123.231 2.621 . . . . 0.0 113.394 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.03 -158.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.97 91.85 0.01 OUTLIER Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -176.85 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.683 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.1 -173.09 4.02 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.63 86.72 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.627 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 78' ' ' THR . . . . . 0.41 HG22 ' OG1' ' G' ' 78' ' ' THR . 43.5 p -66.85 158.81 29.61 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.3 -158.23 4.75 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.57 -80.19 1.41 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -54.39 174.06 0.07 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.17 -37.5 3.27 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t 73.84 130.98 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.88 0.372 . . . . 0.0 110.643 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.28 122.63 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.547 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.83 103.35 6.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.678 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.75 174.51 10.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.073 0.463 . . . . 0.0 111.352 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -147.25 138.0 23.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.987 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.67 -166.41 0.25 Allowed 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.685 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -165.19 169.53 15.93 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.272 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.42 118.15 22.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.156 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -131.2 102.17 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.15 54.57 0.62 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.79 110.6 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.651 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.33 132.5 28.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 66.4 m -127.66 128.07 44.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.389 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.35 79.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.613 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.861 0.363 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -69.82 157.39 37.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.341 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 99.8 m -129.39 122.8 30.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.122 0.487 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -150.5 126.73 10.62 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.474 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 19.2 m -51.7 -61.41 2.27 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 8.8 t -130.9 -94.58 0.38 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.23 53.99 10.63 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.592 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.08 -167.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 0.0 110.697 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.73 -53.33 1.21 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -163.9 -81.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.684 0.278 . . . . 0.0 110.427 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 70.1 m -129.81 127.45 40.34 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.775 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -103.71 148.67 25.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.221 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -121.22 138.83 54.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m -155.51 141.32 18.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.489 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 94.4 p -156.66 148.83 23.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.635 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 54.17 177.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.915 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.22 153.16 24.11 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.42 -40.01 89.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -92.04 178.54 5.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.69 -177.59 6.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.4 119.73 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 92.8 m -126.61 139.71 52.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.46 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.67 -161.39 0.11 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.78 -49.49 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.525 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.91 -100.35 1.38 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.397 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.56 110.84 19.81 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.29 171.56 7.82 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.525 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -125.19 121.38 33.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.784 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 71' ' ' THR . . . . . 0.404 HG22 ' HD2' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -85.99 171.72 9.9 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.439 -179.351 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' I' I ' 72' ' ' PRO . . . . . 0.404 ' HD2' HG22 ' I' ' 71' ' ' THR . 73.1 Cg_exo -43.22 171.52 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 123.14 2.56 . . . . 0.0 113.224 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -101.06 -158.56 0.68 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.0 91.96 0.01 OUTLIER Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -176.4 -43.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.91 0.386 . . . . 0.0 110.567 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.98 -172.78 5.28 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -95.91 86.53 4.36 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 78' ' ' THR . . . . . 0.402 HG22 ' OG1' ' H' ' 78' ' ' THR . 44.1 p -66.53 159.22 27.78 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.63 -158.09 4.99 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.56 -79.64 1.4 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -55.05 173.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 111.043 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.38 -37.3 3.3 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.6 t 73.62 131.11 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.495 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.39 122.68 44.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.9 103.4 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.441 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.74 174.32 10.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.07 0.462 . . . . 0.0 111.267 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.05 137.91 23.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.938 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -174.88 -167.78 0.31 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.697 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -163.9 169.84 17.58 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.445 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.39 117.98 22.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.23 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -131.48 102.49 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.251 0.548 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 107.91 55.02 0.62 Allowed Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.181 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -96.73 110.64 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.676 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.59 132.52 27.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.811 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 66.3 m -127.57 127.99 44.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.402 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.33 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.623 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.528 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.731 0.3 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.76 156.97 23.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.984 0.421 . . . . 0.0 111.087 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -136.95 130.9 32.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.354 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -149.69 128.42 12.45 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.406 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.1 m -52.06 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.391 -0.523 . . . . 0.0 109.999 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.0 p -130.81 -98.38 0.33 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.183 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.43 53.78 6.74 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.66 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 51.32 -170.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.233 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.19 -54.61 1.09 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.18 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.853 0.359 . . . . 0.0 110.625 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.56 152.81 25.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.381 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -135.97 133.46 37.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.454 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.65 151.03 39.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.688 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.79 -162.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.566 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -73.23 170.38 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.71 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.71 19.13 11.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.68 -90.62 0.09 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.68 135.2 48.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.9 p -158.3 179.77 8.84 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.336 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -124.25 99.48 6.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.505 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -88.83 107.53 19.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.319 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.5 m -124.05 140.94 52.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.147 0.499 . . . . 0.0 111.248 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.8 -158.72 0.05 OUTLIER Glycine 0 CA--C 1.526 0.764 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -83.91 43.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.4 -108.71 0.21 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.8 p -134.45 125.05 26.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -147.88 164.45 33.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.216 0.531 . . . . 0.0 111.382 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -122.99 115.13 21.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.689 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.45 161.18 40.43 Favored Pre-proline 0 C--N 1.326 -0.418 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.074 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -28.62 105.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 124.214 3.276 . . . . 0.0 114.84 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -62.64 111.95 2.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.731 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.73 104.61 0.47 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 69.07 94.48 0.07 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.226 0.536 . . . . 0.0 111.263 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.24 -90.21 0.49 Allowed Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.216 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -100.55 149.74 23.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.9 0.381 . . . . 0.0 111.148 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.2 m -111.37 111.2 22.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.21 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.81 101.69 0.85 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.18 100.71 0.2 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -71.43 132.5 44.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.885 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.17 -45.04 0.75 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.18 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.838 0.351 . . . . 0.0 110.39 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.3 t -104.71 -62.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.224 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.8 91.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.76 139.68 25.3 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.3 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.5 p -141.03 147.18 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.328 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.23 -177.76 1.91 Allowed 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.057 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -144.51 160.32 41.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.668 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.6 t -138.44 134.11 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -146.78 90.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.975 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.24 60.44 0.2 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.701 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' B' ' 92' ' ' GLY . 1.6 mp0 -97.6 104.85 16.91 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.82 141.38 38.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.109 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.4 130.37 21.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.52 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.7 t 54.77 72.93 0.43 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.545 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.746 0.308 . . . . 0.0 110.691 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.81 157.01 23.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.402 . . . . 0.0 111.205 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -136.94 130.93 32.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.417 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.7 128.37 12.41 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.759 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 31.7 m -52.29 -63.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.892 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.6 p -130.56 -98.35 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.09 55.62 5.63 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.41 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.46 -170.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.218 0.509 . . . . 0.0 110.548 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.26 -54.61 1.08 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.16 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 110.615 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 97.1 p -110.61 152.94 25.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.376 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -136.0 133.37 37.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.473 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.68 151.0 39.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.83 -162.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.481 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.21 170.62 14.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.676 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.97 19.15 11.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.78 -90.39 0.09 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.78 135.2 48.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 89.5 p -158.25 -179.79 8.43 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.333 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.62 99.48 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.471 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.93 107.58 19.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -123.85 141.12 52.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.18 -158.46 0.05 OUTLIER Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.07 44.59 1.02 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 122.804 -0.233 . . . . 0.0 111.427 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.7 -108.62 0.18 Allowed Glycine 0 C--N 1.337 0.597 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.41 125.08 26.78 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.84 164.85 32.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.379 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -123.3 115.16 21.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.681 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.48 161.04 40.73 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.011 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -28.6 103.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 124.482 3.455 . . . . 0.0 115.054 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -60.28 112.1 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.323 0.389 . . . . 0.0 110.142 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.51 104.84 0.45 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.33 94.36 0.07 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 111.184 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.16 -90.17 0.49 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -100.35 149.87 23.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.873 0.368 . . . . 0.0 111.079 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 45.6 m -111.25 111.05 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.272 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.57 101.69 0.86 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.2 100.92 0.2 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.47 132.62 45.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.017 0.436 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.17 -45.0 0.75 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.45 132.18 0.02 OUTLIER 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.709 0.29 . . . . 0.0 110.354 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.78 -63.03 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.143 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 50.0 91.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.7 139.75 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.335 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 90.8 p -140.96 147.22 38.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.412 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.2 -177.71 1.91 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.123 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 66.8 m -144.53 160.29 41.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.666 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.4 134.0 33.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -147.06 90.8 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.973 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' GLY . . . . . 0.415 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . 123.09 60.91 0.2 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.684 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' C' ' 92' ' ' GLY . 1.6 mp0 -97.58 104.74 16.8 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.318 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.83 141.62 38.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.116 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.74 130.35 21.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.462 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 40.8 t 54.87 72.94 0.44 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.565 179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.763 0.316 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 85.0 p -82.88 156.97 23.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.0 0.429 . . . . 0.0 111.2 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -136.94 130.96 32.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.406 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.72 128.45 12.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.762 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 31.9 m -52.27 -63.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.85 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 35.5 p -130.5 -98.26 0.34 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.15 55.44 5.75 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.464 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.69 -170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.489 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.29 -54.63 1.08 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.25 -76.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.626 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 97.5 p -110.59 152.94 25.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.4 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -136.06 133.42 37.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.412 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.7 150.93 39.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.738 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.73 -162.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.505 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.21 170.69 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.676 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -96.03 19.21 11.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.79 -90.47 0.09 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -129.82 135.18 48.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.19 -179.81 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.363 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.6 99.41 6.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.478 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -88.8 107.44 18.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.41 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -123.72 141.03 52.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.214 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.26 -158.41 0.05 OUTLIER Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.06 44.74 1.03 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.358 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.59 -108.59 0.18 Allowed Glycine 0 C--N 1.336 0.578 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -134.46 125.13 26.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.77 164.89 32.19 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.334 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -123.28 115.03 21.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.65 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 160.95 41.07 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.101 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -28.5 102.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 124.503 3.469 . . . . 0.0 115.15 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.05 112.27 1.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.484 0.49 . . . . 0.0 110.162 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.38 104.87 0.44 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.24 94.42 0.07 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.948 0.404 . . . . 0.0 111.182 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.12 -90.21 0.49 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 94.3 p -100.3 149.82 23.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.91 0.386 . . . . 0.0 111.104 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 48.3 m -111.27 111.17 22.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.198 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.57 101.76 0.87 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.17 100.87 0.2 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -71.52 132.71 45.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.133 0.492 . . . . 0.0 110.828 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.09 -44.89 0.76 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.32 132.17 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.806 0.336 . . . . 0.0 110.395 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.75 -62.98 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.206 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.98 91.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.778 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.72 139.82 25.45 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 91.0 p -141.01 147.11 38.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.42 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.12 -177.77 1.95 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.107 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 67.0 m -144.43 160.31 41.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.648 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.28 134.01 33.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.51 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -147.21 90.92 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.95 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 92' ' ' GLY . . . . . 0.414 ' O ' ' NE2' ' B' ' 93' ' ' GLN . . . 123.08 60.93 0.2 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.708 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 93' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' D' ' 92' ' ' GLY . 1.6 mp0 -97.6 104.69 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.302 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.78 141.64 38.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.076 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.67 130.37 21.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.87 72.88 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.599 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.594 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.775 0.321 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.82 157.06 23.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -136.99 130.89 32.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.442 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.67 128.3 12.38 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.719 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 31.8 m -52.18 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.899 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 35.7 p -130.54 -98.23 0.33 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.13 55.43 5.74 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.439 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.55 -170.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.534 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.15 -54.6 1.09 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.26 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.627 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 97.0 p -110.52 152.9 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.377 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -136.01 133.47 37.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.475 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.78 150.89 39.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.764 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 -162.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.459 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -73.12 170.62 14.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.643 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.96 19.12 12.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.8 -90.41 0.09 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.85 135.13 48.03 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.21 -179.81 8.46 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.283 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -124.61 99.42 6.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.479 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.48 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.36 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.5 m -123.7 141.09 52.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.16 -158.48 0.05 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.05 44.85 1.04 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 122.755 -0.262 . . . . 0.0 111.308 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.57 -108.57 0.18 Allowed Glycine 0 C--N 1.336 0.554 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -134.55 125.16 26.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.83 164.92 32.17 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.37 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -123.28 115.1 21.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.677 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.54 161.07 40.47 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.003 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -28.58 102.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 124.511 3.474 . . . . 0.0 115.13 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.03 112.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.364 0.415 . . . . 0.0 110.16 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.27 104.95 0.43 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.25 94.3 0.07 Allowed 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.964 0.412 . . . . 0.0 111.218 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.94 -90.23 0.47 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 93.8 p -100.41 149.88 23.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.919 0.39 . . . . 0.0 111.05 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 45.7 m -111.14 111.09 21.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.324 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.56 101.72 0.86 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.18 100.87 0.2 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.43 132.61 45.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.129 0.49 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.18 -44.94 0.75 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.41 132.19 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.735 0.302 . . . . 0.0 110.37 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 17.4 t -104.78 -62.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.218 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.9 91.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.79 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 28.6 t -146.65 139.74 25.48 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.381 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 91.7 p -141.02 147.09 38.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.13 -177.81 1.95 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.947 0.403 . . . . 0.0 111.084 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 66.9 m -144.4 160.35 41.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.641 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.25 133.99 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -147.13 90.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.012 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 92' ' ' GLY . . . . . 0.413 ' O ' ' NE2' ' C' ' 93' ' ' GLN . . . 123.02 60.93 0.2 Allowed Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.752 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 93' ' ' GLN . . . . . 0.405 ' NE2' ' O ' ' E' ' 92' ' ' GLY . 1.6 mp0 -97.52 104.61 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.279 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.78 141.66 38.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.72 130.29 21.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.495 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.87 72.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.571 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.698 0.285 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -82.82 157.05 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.065 0.459 . . . . 0.0 111.13 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -136.93 130.89 32.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.35 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -149.84 129.21 12.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.765 0.793 . . . . 0.0 110.856 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 23.7 m -55.19 -60.87 2.79 Favored 'General case' 0 CA--C 1.52 -0.202 0 O-C-N 121.195 -0.941 . . . . 0.0 110.133 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -130.57 -97.53 0.34 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.837 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.28 49.75 18.71 Favored Glycine 0 C--N 1.348 1.235 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.257 175.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 52.32 -170.42 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 117.419 0.61 . . . . 0.0 110.112 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.02 -54.13 1.06 Allowed Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -161.83 -79.41 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.992 0.425 . . . . 0.0 109.86 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 95.1 p -109.81 152.52 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.802 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -135.94 133.4 37.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.418 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.69 150.95 39.52 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.905 0.383 . . . . 0.0 110.724 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.7 -162.76 0.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.16 170.59 14.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.631 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.87 19.13 11.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.894 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.81 -90.44 0.09 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.82 135.24 48.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.25 -179.88 8.52 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.344 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.57 99.48 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.455 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.49 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.353 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -123.68 140.76 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.969 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.51 -161.7 0.05 OUTLIER Glycine 0 CA--C 1.526 0.753 0 O-C-N 124.284 0.99 . . . . 0.0 111.515 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -82.88 45.92 1.05 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.985 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.02 -108.61 0.17 Allowed Glycine 0 N--CA 1.472 1.034 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.91 124.69 25.37 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.934 0.873 . . . . 0.0 109.554 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.94 164.56 33.38 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.193 -0.942 . . . . 0.0 111.139 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 66.6 m -123.48 116.4 23.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.4 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 161.21 38.87 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.023 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 72' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' F' ' 73' ' ' GLN . 94.3 Cg_exo -31.89 107.94 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 123.457 2.772 . . . . 0.0 114.153 -176.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -63.04 114.17 3.54 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.527 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.79 103.79 0.39 Allowed Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 71.15 91.91 0.09 Allowed 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.61 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.14 -89.81 0.43 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 94.4 p -100.58 149.53 23.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.957 0.408 . . . . 0.0 111.06 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 41.6 m -110.75 110.45 21.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.541 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.39 101.77 0.87 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.1 100.36 0.2 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -71.26 132.13 44.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.08 0.467 . . . . 0.0 110.927 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.54 -43.4 0.8 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 169.39 132.57 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.246 0.546 . . . . 0.0 110.115 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 18.8 t -105.07 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.71 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 50.04 91.17 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.765 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.51 139.67 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.278 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -140.99 147.1 38.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.446 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.24 -177.74 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.002 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 67.1 m -144.13 160.68 40.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.5 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 2.6 t -138.32 133.9 33.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.881 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -146.46 89.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.429 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 92' ' ' GLY . . . . . 0.405 ' O ' ' NE2' ' D' ' 93' ' ' GLN . . . 123.77 60.56 0.19 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.681 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 93' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' F' ' 92' ' ' GLY . 1.6 mp0 -96.23 104.56 16.53 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.191 -0.203 . . . . 0.0 110.646 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.79 141.41 38.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.046 0.45 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.98 130.43 22.48 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.469 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.98 72.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.666 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.575 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.794 0.33 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.85 156.96 23.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -137.01 131.08 32.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.426 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.82 128.45 12.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.765 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m -52.19 -63.39 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.896 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 35.3 p -130.56 -98.28 0.33 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.24 55.45 5.82 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.475 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.57 -170.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.48 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.35 -54.63 1.07 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.21 -76.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.648 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 97.8 p -110.5 152.82 25.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.407 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -135.95 133.45 37.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.473 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.79 150.9 39.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.69 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 -162.74 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.509 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.13 170.72 14.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.709 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -96.03 19.18 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.886 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.79 -90.43 0.09 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.82 135.17 48.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 89.4 p -158.15 -179.76 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.27 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.66 99.56 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.87 107.46 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.355 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -123.72 141.21 52.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -158.34 0.05 OUTLIER Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.13 44.92 1.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.377 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.54 -108.52 0.18 Allowed Glycine 0 C--N 1.335 0.506 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -134.6 125.27 26.87 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.91 164.86 32.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.371 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -123.27 115.13 21.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.738 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.57 161.02 40.55 Favored Pre-proline 0 C--N 1.327 -0.376 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.042 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -28.44 102.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 124.537 3.491 . . . . 0.0 115.127 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 73' ' ' GLN . . . . . 0.407 ' HA ' ' HA ' ' E' ' 72' ' ' PRO . 9.6 mp0 -60.12 112.27 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.395 0.434 . . . . 0.0 110.178 178.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.22 105.06 0.42 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.25 94.44 0.07 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.968 0.413 . . . . 0.0 111.138 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.11 -90.25 0.48 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 94.1 p -100.35 149.89 23.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.081 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 47.6 m -111.25 111.11 21.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.52 101.65 0.86 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.22 100.94 0.2 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.5 132.66 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.987 0.423 . . . . 0.0 110.921 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.1 -44.78 0.76 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.13 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.693 0.282 . . . . 0.0 110.396 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -104.77 -62.84 1.28 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.189 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 49.83 91.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.68 139.8 25.49 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.368 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -141.03 147.05 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.473 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.16 -177.84 1.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.032 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 66.8 m -144.4 160.35 41.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.589 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.31 134.0 33.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -147.11 90.9 1.93 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 92' ' ' GLY . . . . . 0.416 ' O ' ' NE2' ' E' ' 93' ' ' GLN . . . 122.98 60.9 0.2 Allowed Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.766 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 93' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' G' ' 92' ' ' GLY . 1.6 mp0 -97.58 104.72 16.77 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.293 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.85 141.62 38.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.877 0.37 . . . . 0.0 111.024 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.66 130.31 21.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.468 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.86 72.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.534 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.63 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.73 0.3 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.84 156.99 23.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.215 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 93.2 m -136.93 130.91 32.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.416 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.66 128.41 12.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.715 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 31.5 m -52.26 -63.32 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.889 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 35.4 p -130.55 -98.16 0.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.05 55.57 5.62 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.476 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.55 -170.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.588 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.25 -54.7 1.08 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -162.17 -76.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.311 . . . . 0.0 110.671 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 97.3 p -110.52 152.89 25.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.358 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 43.7 t -135.99 133.45 37.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.482 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.69 150.97 39.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.74 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.8 -162.74 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.509 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.16 170.66 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.678 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -96.0 19.2 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.821 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.82 -90.52 0.09 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.75 135.25 48.23 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 89.7 p -158.21 -179.81 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.395 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.66 99.41 6.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.484 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.83 107.48 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.392 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -123.7 141.21 52.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.145 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.29 -158.38 0.05 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.18 44.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.418 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.51 -108.53 0.18 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -134.52 125.01 26.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.69 164.96 31.91 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.362 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -123.33 115.1 21.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.675 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.46 160.97 41.0 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.08 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -28.47 102.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.2 0 C-N-CA 124.521 3.481 . . . . 0.0 115.156 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -59.97 112.19 1.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.417 0.448 . . . . 0.0 110.201 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.3 104.96 0.43 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.26 94.47 0.07 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.933 0.396 . . . . 0.0 111.151 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.1 -90.25 0.48 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 93.8 p -100.39 149.81 23.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 0.0 111.054 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 47.0 m -111.19 111.11 21.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.313 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.53 101.74 0.87 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.22 100.84 0.2 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -71.4 132.64 45.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.049 0.452 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.13 -44.93 0.75 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.37 132.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.795 0.331 . . . . 0.0 110.43 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 17.7 t -104.83 -62.83 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.196 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.92 91.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.72 139.74 25.39 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.311 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -140.99 147.19 38.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.448 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.18 -177.77 1.92 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.047 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 67.1 m -144.49 160.37 41.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.29 133.89 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -147.08 90.86 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.049 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 92' ' ' GLY . . . . . 0.417 ' O ' ' NE2' ' F' ' 93' ' ' GLN . . . 123.02 60.93 0.2 Allowed Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.778 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 93' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' H' ' 92' ' ' GLY . 1.6 mp0 -97.56 104.75 16.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.276 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.83 141.67 38.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.881 0.372 . . . . 0.0 111.046 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.67 130.35 21.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 40.8 t 54.83 72.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.572 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.562 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.739 0.304 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.82 156.98 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.932 0.396 . . . . 0.0 111.284 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 93.0 m -136.95 130.95 32.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.402 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -149.72 128.41 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.746 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 31.3 m -52.34 -63.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.391 -0.523 . . . . 0.0 109.836 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 35.4 p -130.53 -98.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.15 55.44 5.75 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 121.254 -0.498 . . . . 0.0 112.48 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.58 -170.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.576 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.36 -54.62 1.07 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -162.18 -76.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.59 152.87 25.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.337 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -135.92 133.49 37.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.76 150.99 39.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.74 -162.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.469 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.12 170.61 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.698 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.98 19.28 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.895 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.88 -90.36 0.09 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -129.88 135.17 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 89.3 p -158.2 -179.75 8.41 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.339 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.62 99.38 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.476 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.53 19.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.332 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.1 m -123.79 141.22 52.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.25 -158.34 0.05 OUTLIER Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.13 44.9 1.05 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.441 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.54 -108.69 0.18 Allowed Glycine 0 C--N 1.336 0.542 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.47 124.98 26.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.68 165.01 31.76 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.274 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -123.34 115.02 20.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.717 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 160.99 40.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.068 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -28.6 102.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 124.516 3.477 . . . . 0.0 115.108 -177.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -59.93 112.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.259 0.349 . . . . 0.0 110.262 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.41 104.91 0.44 Allowed Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.25 94.61 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.946 0.403 . . . . 0.0 111.08 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.22 -90.3 0.49 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 93.9 p -100.27 149.98 23.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.947 0.403 . . . . 0.0 111.04 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 47.6 m -111.32 111.07 21.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.245 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.49 101.81 0.87 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.13 100.92 0.2 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -71.54 132.65 44.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.105 0.479 . . . . 0.0 110.966 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.18 -44.87 0.75 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.2 0.02 OUTLIER 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.743 0.306 . . . . 0.0 110.418 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -104.81 -63.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.155 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 50.0 91.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.71 139.74 25.4 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.366 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 91.1 p -140.93 147.15 38.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.375 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.21 -177.83 1.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.116 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 66.4 m -144.4 160.33 41.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.74 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.27 133.89 33.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -147.11 90.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.003 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 92' ' ' GLY . . . . . 0.417 ' O ' ' NE2' ' G' ' 93' ' ' GLN . . . 123.05 61.01 0.2 Allowed Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.043 -0.599 . . . . 0.0 111.765 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 93' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' I' ' 92' ' ' GLY . 1.6 mp0 -97.55 104.73 16.78 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.277 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.83 141.73 38.68 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.884 0.373 . . . . 0.0 111.041 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.74 130.45 21.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.4 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.74 72.98 0.43 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.58 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.707 0.289 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.64 157.17 23.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.3 m -137.24 130.97 31.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.482 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -149.59 129.44 13.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.689 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 30.4 m -53.61 -63.27 1.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -130.66 -97.86 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 43.96 55.4 5.62 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.249 -0.501 . . . . 0.0 112.412 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.65 -170.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.181 0.49 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.34 -54.77 1.07 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.19 -76.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 0.0 110.647 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.54 152.87 25.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.362 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -136.0 133.53 37.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.445 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.75 150.94 39.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.702 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.69 -162.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.525 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 59.7 p -73.21 170.66 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.63 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.96 19.15 11.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.77 -90.41 0.09 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.89 135.31 48.22 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 89.4 p -158.34 -179.76 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.223 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.71 99.56 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.94 107.53 19.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.38 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.1 m -123.53 141.47 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.165 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.56 -158.32 0.06 OUTLIER Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.21 45.9 1.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 122.816 -0.226 . . . . 0.0 111.163 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.83 -108.54 0.16 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 19.5 p -134.41 125.2 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -148.02 165.0 32.07 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.273 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m -123.48 115.03 20.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.714 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.19 161.06 41.48 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -28.94 103.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 124.543 3.495 . . . . 0.0 114.791 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -60.02 112.77 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.259 0.349 . . . . 0.0 110.217 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.23 105.13 0.42 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.27 94.27 0.07 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.045 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.74 -89.86 0.47 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 94.4 p -100.43 149.79 23.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 111.027 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 47.9 m -110.9 110.97 21.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.38 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.36 101.81 0.88 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.21 101.01 0.2 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -71.43 132.9 45.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.09 0.471 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.07 -44.67 0.77 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.25 132.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.737 0.303 . . . . 0.0 110.445 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.8 -62.94 1.27 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.163 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.86 91.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.764 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 28.7 t -146.66 140.05 25.7 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.671 -0.411 . . . . 0.0 111.267 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 91.7 p -141.29 146.9 37.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.342 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.14 -177.95 1.98 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.025 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 67.0 m -144.27 160.2 41.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.662 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -137.95 133.75 34.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -147.3 91.5 1.99 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.072 0.463 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 92' ' ' GLY . . . . . 0.418 ' O ' ' NE2' ' H' ' 93' ' ' GLN . . . 122.68 61.34 0.21 Allowed Glycine 0 CA--C 1.527 0.804 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.727 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -97.44 104.52 16.55 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.355 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.89 141.69 38.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.094 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.71 130.29 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 41.0 t 54.94 72.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.628 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.473 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.763 0.316 . . . . 0.0 110.72 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -66.74 136.8 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.44 HG23 ' O ' ' B' ' 45' ' ' THR . 42.3 m -123.29 136.56 54.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.305 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.69 163.87 27.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.446 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.1 m -127.31 -51.8 1.4 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.639 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.5 m -136.1 157.41 46.89 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.94 0.4 . . . . 0.0 111.586 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.57 72.76 1.07 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 121.148 -0.548 . . . . 0.0 112.141 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 41.31 81.71 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.518 0.187 . . . . 0.0 111.223 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.05 89.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.21 83.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.0 110.495 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.6 t -130.44 128.2 40.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.861 0.363 . . . . 0.0 110.916 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.9 m -102.28 146.06 28.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.324 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -121.03 121.43 37.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.488 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.3 p -152.18 25.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.1 t -60.34 132.43 53.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -80.75 -27.07 36.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.42 161.4 54.35 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.9 -173.82 2.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.601 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m 57.48 39.68 27.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -101.33 99.6 9.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -114.12 121.26 43.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.558 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.2 m -113.72 123.23 49.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.564 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.88 10.39 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.3 -45.43 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.022 0.439 . . . . 0.0 110.478 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.53 -135.92 13.13 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.472 ' OG1' HG22 ' B' ' 68' ' ' THR . 59.6 p -121.67 141.39 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 110.489 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.29 163.82 32.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.762 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -136.04 121.24 19.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.452 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.409 ' C ' ' OG1' ' B' ' 71' ' ' THR . 29.9 p -73.24 164.55 60.15 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.415 ' N ' ' OG1' ' B' ' 71' ' ' THR . 42.3 Cg_endo -90.13 106.92 0.36 Allowed 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 123.042 2.495 . . . . 0.0 113.708 -176.213 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -56.49 113.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.848 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.67 101.11 2.59 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.575 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.462 ' CE2' HG23 ' A' ' 78' ' ' THR . 0.1 OUTLIER 66.61 69.3 0.42 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.563 0.697 . . . . 0.0 111.41 179.227 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.51 -98.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.6 t -99.51 120.6 39.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.462 HG23 ' CE2' ' A' ' 75' ' ' TYR . 16.9 m -84.91 123.5 30.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.246 0.546 . . . . 0.0 111.031 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.92 101.3 0.25 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.73 100.54 0.43 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -60.92 -165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.593 0.235 . . . . 0.0 110.756 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.78 -47.71 2.76 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.22 131.04 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.75 0.31 . . . . 0.0 110.44 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -106.71 -65.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.751 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.35 104.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.608 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.9 122.39 34.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.7 m -136.09 116.98 14.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.353 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.06 -171.63 0.45 Allowed 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.867 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.0 p -171.09 163.98 7.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.541 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.45 135.53 5.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.582 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -48.21 -78.77 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.941 0.4 . . . . 0.0 111.703 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.85 79.36 0.06 OUTLIER Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.655 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.61 173.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.724 0.297 . . . . 0.0 110.64 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -149.67 160.03 43.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.56 117.61 20.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.39 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.1 t 56.39 55.18 6.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.634 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.585 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.772 0.32 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.6 m -66.78 136.81 56.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' THR . . . . . 0.445 HG23 ' O ' ' C' ' 45' ' ' THR . 41.3 m -123.13 136.74 54.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.353 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.59 163.33 28.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.635 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.28 -51.87 1.4 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.649 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.4 m -135.9 157.98 45.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.102 0.477 . . . . 0.0 111.593 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.71 74.48 0.91 Allowed Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.917 -0.658 . . . . 0.0 111.997 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.6 82.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.625 0.25 . . . . 0.0 111.42 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.19 89.37 0.05 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 65.31 82.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.537 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.46 127.77 39.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.11 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 70.6 m -101.86 146.19 28.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.309 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.01 121.42 37.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.497 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 80.2 p -152.21 25.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -60.32 132.43 53.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.569 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -80.76 -27.17 36.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.5 161.36 54.35 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.78 -173.7 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.679 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.2 m 57.36 39.68 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.735 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.34 99.73 10.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.16 121.17 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.654 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 85.9 m -113.7 123.33 49.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.616 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.03 130.75 10.34 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.71 -44.8 7.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 0.0 110.493 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.1 -136.22 13.34 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.473 ' OG1' HG22 ' C' ' 68' ' ' THR . 56.6 p -121.45 141.45 51.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.853 0.359 . . . . 0.0 110.53 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.24 164.22 31.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.699 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 29.8 t -136.29 120.91 18.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.353 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' THR . . . . . 0.425 ' C ' ' OG1' ' C' ' 71' ' ' THR . 30.1 p -73.61 165.25 54.7 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.886 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' PRO . . . . . 0.42 ' N ' ' OG1' ' C' ' 71' ' ' THR . 41.4 Cg_endo -90.66 104.49 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 123.319 2.679 . . . . 0.0 114.451 -175.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.98 113.12 1.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.011 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.89 101.35 2.62 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.731 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.464 ' CE2' HG23 ' B' ' 78' ' ' THR . 0.1 OUTLIER 66.76 69.4 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.257 0.551 . . . . 0.0 111.179 179.235 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.41 -98.57 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.48 120.4 39.57 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.464 HG23 ' CE2' ' B' ' 75' ' ' TYR . 17.1 m -83.99 123.93 30.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.936 0.398 . . . . 0.0 111.036 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.34 101.2 0.25 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.67 100.74 0.44 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -61.04 -166.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.731 0.3 . . . . 0.0 110.719 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.92 -47.42 2.71 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.17 131.1 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.68 0.276 . . . . 0.0 110.46 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 67.9 m -106.69 -65.17 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.763 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 19.8 tm0? 65.3 104.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.614 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.88 122.3 34.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 70.7 m -135.91 116.94 14.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.92 -171.56 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.917 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -171.19 163.93 7.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.587 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.38 135.51 5.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.725 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -48.35 -79.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.286 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 79.22 0.06 OUTLIER Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.546 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.56 173.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.715 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.62 160.03 43.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.927 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.58 117.65 20.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.426 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.42 55.1 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.696 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.676 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 0.0 110.697 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -66.74 136.75 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 45' ' ' THR . . . . . 0.446 HG23 ' O ' ' D' ' 45' ' ' THR . 41.7 m -123.15 136.74 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.257 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.6 163.43 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.768 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 54.6 m -127.46 -51.79 1.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.703 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 34.2 m -135.95 157.88 45.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.082 0.468 . . . . 0.0 111.617 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.79 74.41 0.92 Allowed Glycine 0 C--O 1.225 -0.437 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.035 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.71 82.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.507 0.194 . . . . 0.0 111.487 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.28 89.38 0.05 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 65.39 82.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.562 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 42.2 t -130.41 127.71 39.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -101.8 146.24 28.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.347 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.11 121.43 37.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.479 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 80.2 p -152.16 25.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.603 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -60.32 132.45 53.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.8 -27.14 36.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.42 161.27 54.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.72 -173.69 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.714 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m 57.38 39.57 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.25 99.68 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.544 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -114.14 121.15 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.664 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 86.2 m -113.61 123.3 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.626 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.95 130.65 10.31 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.69 -44.79 7.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.341 . . . . 0.0 110.542 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.15 -136.28 13.38 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.474 ' OG1' HG22 ' D' ' 68' ' ' THR . 55.9 p -121.46 141.59 50.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.85 0.357 . . . . 0.0 110.54 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -144.32 164.22 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.665 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -136.41 120.86 18.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.252 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.426 ' C ' ' OG1' ' D' ' 71' ' ' THR . 30.2 p -73.58 165.42 53.21 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.902 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 72' ' ' PRO . . . . . 0.421 ' N ' ' OG1' ' D' ' 71' ' ' THR . 41.2 Cg_endo -90.79 104.27 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 123.27 2.647 . . . . 0.0 114.518 -175.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.74 113.1 1.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.036 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.97 101.54 2.64 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.669 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 75' ' ' TYR . . . . . 0.465 ' CE2' HG23 ' C' ' 78' ' ' THR . 0.1 OUTLIER 66.71 69.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.252 0.548 . . . . 0.0 111.129 179.182 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.44 -98.53 0.01 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -99.5 120.5 39.73 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.465 HG23 ' CE2' ' C' ' 75' ' ' TYR . 17.4 m -84.09 124.09 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.965 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.44 101.15 0.24 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.75 100.76 0.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.96 -166.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.737 0.303 . . . . 0.0 110.773 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.93 -47.44 2.71 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.23 131.23 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.762 0.315 . . . . 0.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 67.0 m -106.73 -65.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.706 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.32 104.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.698 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 8.3 t -126.84 122.34 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.939 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -135.9 116.85 14.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.418 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.88 -171.55 0.46 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.915 -179.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -171.14 163.86 7.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.61 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.33 135.62 6.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.745 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -48.42 -79.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.39 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.72 79.2 0.06 OUTLIER Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.515 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.68 173.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.647 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -149.59 160.09 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.65 117.53 20.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.5 55.08 6.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.655 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.677 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.775 0.322 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 67.2 m -66.74 136.87 56.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 45' ' ' THR . . . . . 0.452 HG23 ' O ' ' E' ' 45' ' ' THR . 41.1 m -123.25 136.81 54.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.312 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.61 163.37 28.23 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.702 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 55.1 m -127.48 -51.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.488 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 34.0 m -135.72 158.02 45.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 111.6 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.64 74.48 0.91 Allowed Glycine 0 C--O 1.224 -0.505 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.979 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 39.67 82.14 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.571 0.224 . . . . 0.0 111.418 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.34 89.45 0.06 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.37 82.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.509 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.46 127.64 39.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.124 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 70.2 m -101.74 146.22 28.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.322 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.04 121.41 37.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.18 25.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.594 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.23 132.42 53.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.562 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.81 -27.07 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.57 161.34 54.36 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.8 -173.68 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.635 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m 57.42 39.6 28.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.764 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -101.3 99.67 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.463 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -114.15 121.21 43.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.673 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -113.72 123.24 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.708 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.68 10.32 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.66 -44.8 7.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 110.527 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.11 -136.23 13.35 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 68' ' ' THR . . . . . 0.474 HG22 ' OG1' ' C' ' 68' ' ' THR . 56.3 p -121.54 141.58 50.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.955 0.407 . . . . 0.0 110.458 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.33 164.14 31.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.628 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.23 120.84 18.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.289 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 71' ' ' THR . . . . . 0.428 ' C ' ' OG1' ' E' ' 71' ' ' THR . 30.1 p -73.61 165.42 53.2 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.916 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 72' ' ' PRO . . . . . 0.424 ' N ' ' OG1' ' E' ' 71' ' ' THR . 41.0 Cg_endo -90.78 104.15 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 123.327 2.685 . . . . 0.0 114.649 -175.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.67 113.06 1.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.127 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.92 101.43 2.63 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.731 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 75' ' ' TYR . . . . . 0.464 ' CE2' HG23 ' D' ' 78' ' ' THR . 0.1 OUTLIER 66.81 69.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.227 0.537 . . . . 0.0 111.177 179.213 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.37 -98.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 30.3 t -99.44 120.47 39.66 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 78' ' ' THR . . . . . 0.464 HG23 ' CE2' ' D' ' 75' ' ' TYR . 16.9 m -83.79 123.94 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.174 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.52 101.23 0.25 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.63 100.84 0.44 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -61.14 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.733 0.301 . . . . 0.0 110.72 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.96 -47.46 2.7 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.21 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.68 0.276 . . . . 0.0 110.512 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 67.3 m -106.66 -65.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.684 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.38 104.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.614 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.92 122.39 34.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 70.9 m -135.95 116.97 14.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.342 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.02 -171.6 0.45 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.926 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -171.11 163.84 7.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.586 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.32 135.63 6.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.744 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -48.5 -79.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.64 79.21 0.06 OUTLIER Glycine 0 CA--C 1.525 0.704 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.509 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.61 173.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 110.708 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.6 160.07 43.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.62 117.66 20.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.44 55.07 6.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.7 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.786 0.327 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 67.5 m -66.85 136.9 56.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 45' ' ' THR . . . . . 0.452 ' O ' HG23 ' D' ' 45' ' ' THR . 40.6 m -123.31 136.8 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.358 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.34 163.02 28.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.846 0.355 . . . . 0.0 110.686 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 50.8 m -128.06 -49.32 1.33 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 119.024 -1.071 . . . . 0.0 112.89 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 41.7 m -131.52 156.53 45.54 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.9 70.54 1.31 Allowed Glycine 0 C--O 1.223 -0.588 0 C-N-CA 119.25 -1.452 . . . . 0.0 112.284 175.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 40.25 82.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.857 0.329 . . . . 0.0 111.049 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.21 87.85 0.05 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 65.6 83.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 110.633 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.99 127.63 38.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 71.1 m -101.88 146.63 27.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.996 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.33 121.5 37.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.627 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.2 25.56 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -60.31 132.44 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.597 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.76 -27.06 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.606 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.55 161.3 54.34 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.73 -173.78 2.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.639 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m 57.47 39.66 27.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.724 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.3 99.36 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.594 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -113.79 120.96 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.735 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.64 123.03 48.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.643 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.38 130.51 10.26 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.56 -45.56 7.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.74 0.305 . . . . 0.0 110.267 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.62 -135.88 13.1 Favored Glycine 0 N--CA 1.469 0.843 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 68' ' ' THR . . . . . 0.473 HG22 ' OG1' ' D' ' 68' ' ' THR . 56.5 p -121.93 141.06 51.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.737 0.303 . . . . 0.0 110.497 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.0 164.25 31.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.693 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -136.34 121.66 19.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.092 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 71' ' ' THR . . . . . 0.429 ' C ' ' OG1' ' F' ' 71' ' ' THR . 30.4 p -73.94 165.45 53.19 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.915 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 72' ' ' PRO . . . . . 0.421 ' N ' ' OG1' ' F' ' 71' ' ' THR . 45.0 Cg_endo -91.6 108.19 0.27 Allowed 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.39 2.06 . . . . 0.0 113.48 -175.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -57.41 114.44 2.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.557 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.77 100.88 2.58 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.813 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 75' ' ' TYR . . . . . 0.47 ' CE2' HG23 ' E' ' 78' ' ' THR . 0.1 OUTLIER 68.2 67.45 0.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.887 0.375 . . . . 0.0 111.516 178.874 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.35 -99.32 0.01 OUTLIER Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 30.1 t -99.07 120.74 39.97 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 78' ' ' THR . . . . . 0.47 HG23 ' CE2' ' E' ' 75' ' ' TYR . 16.4 m -84.06 123.43 30.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 111.081 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.0 101.48 0.26 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.62 100.55 0.43 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.91 -164.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.795 0.331 . . . . 0.0 110.765 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.85 -44.74 3.01 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 169.18 131.43 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.962 0.411 . . . . 0.0 110.238 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 67.8 m -106.82 -65.17 1.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.682 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? 65.42 104.02 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.734 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.53 122.34 34.88 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.771 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -135.97 117.0 14.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.28 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.04 -171.82 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.888 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 86.4 p -170.16 164.58 9.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.531 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.65 135.97 5.97 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.83 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -49.6 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.533 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.69 76.87 0.07 OUTLIER Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.048 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -49.55 173.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 0.0 110.749 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.43 160.08 43.74 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.49 117.44 20.51 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 16.5 t 56.35 55.33 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.811 0.695 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 82.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.655 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.787 0.327 . . . . 0.0 110.745 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 67.5 m -66.82 136.82 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 45' ' ' THR . . . . . 0.445 HG23 ' O ' ' G' ' 45' ' ' THR . 41.9 m -123.18 136.86 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.291 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.64 163.36 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.754 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.39 -51.87 1.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.489 -0.485 . . . . 0.0 111.646 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 33.9 m -135.83 158.01 45.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.131 0.491 . . . . 0.0 111.636 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.65 74.64 0.9 Allowed Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.964 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.4 82.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.656 0.265 . . . . 0.0 111.496 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.28 89.42 0.05 OUTLIER Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 65.45 82.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 0.0 110.628 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.36 127.62 39.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.141 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -101.74 146.24 28.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.332 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.12 121.39 37.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.432 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 80.0 p -152.21 25.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -60.29 132.45 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.579 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.77 -27.13 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.6 161.25 54.34 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.65 -173.72 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m 57.47 39.6 27.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.33 99.71 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.12 121.2 43.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -113.67 123.31 49.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.641 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.02 130.72 10.33 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.69 -44.78 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.04 -136.36 13.43 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 68' ' ' THR . . . . . 0.471 HG22 ' OG1' ' E' ' 68' ' ' THR . 57.3 p -121.38 141.55 50.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.831 0.348 . . . . 0.0 110.61 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -144.29 164.11 31.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.656 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.29 120.89 18.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.306 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 71' ' ' THR . . . . . 0.429 ' OG1' ' C ' ' E' ' 71' ' ' THR . 30.3 p -73.58 165.4 53.41 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 72' ' ' PRO . . . . . 0.422 ' N ' ' OG1' ' G' ' 71' ' ' THR . 41.0 Cg_endo -90.74 104.22 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 123.268 2.646 . . . . 0.0 114.63 -175.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.59 112.98 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.049 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.96 101.41 2.63 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.725 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 75' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' F' ' 78' ' ' THR . 0.1 OUTLIER 66.88 69.45 0.4 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.246 0.546 . . . . 0.0 111.042 179.174 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.44 -98.51 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.49 120.46 39.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 78' ' ' THR . . . . . 0.467 HG23 ' CE2' ' F' ' 75' ' ' TYR . 17.2 m -83.96 123.94 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.946 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.36 101.2 0.25 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.64 100.78 0.44 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -60.98 -166.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.798 0.332 . . . . 0.0 110.66 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.87 -47.47 2.73 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.24 131.26 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.761 0.315 . . . . 0.0 110.419 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 67.4 m -106.76 -65.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.696 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.22 104.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.85 122.38 34.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -135.97 116.96 14.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.353 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.87 -171.55 0.46 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.012 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 85.9 p -171.13 163.83 7.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.591 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.32 135.61 6.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.719 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.51 -79.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.289 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.58 79.12 0.06 OUTLIER Glycine 0 CA--C 1.525 0.713 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.576 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.55 173.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 110.696 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.52 160.14 43.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.969 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.68 117.61 20.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 16.7 t 56.42 55.13 6.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.714 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.611 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -66.89 136.86 56.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 45' ' ' THR . . . . . 0.446 HG23 ' O ' ' H' ' 45' ' ' THR . 41.6 m -123.18 136.71 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.265 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.63 163.36 28.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.773 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.35 -51.88 1.39 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.614 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 33.3 m -135.92 157.96 45.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.095 0.474 . . . . 0.0 111.6 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.71 74.48 0.91 Allowed Glycine 0 C--O 1.224 -0.477 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.004 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.65 82.06 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.528 0.204 . . . . 0.0 111.53 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.27 89.35 0.05 OUTLIER Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.38 82.96 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.318 . . . . 0.0 110.526 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.48 127.59 39.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.074 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -101.75 146.33 27.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.278 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.17 121.45 37.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.457 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.28 25.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -60.31 132.48 54.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.568 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -80.82 -27.08 36.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.5 161.18 54.31 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.65 -173.8 2.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.378 . . . . 0.0 110.649 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m 57.54 39.53 27.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.729 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.21 99.62 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -114.09 121.23 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.646 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.69 123.32 49.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.613 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.0 130.67 10.32 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.6 -44.9 7.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 110.502 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.15 -136.32 13.4 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 68' ' ' THR . . . . . 0.47 HG22 ' OG1' ' F' ' 68' ' ' THR . 57.9 p -121.35 141.53 50.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 110.544 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.35 164.2 31.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.648 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.37 120.91 18.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.348 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 71' ' ' THR . . . . . 0.427 ' OG1' ' C ' ' F' ' 71' ' ' THR . 30.1 p -73.58 165.43 53.09 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.901 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 72' ' ' PRO . . . . . 0.42 ' N ' ' OG1' ' H' ' 71' ' ' THR . 41.1 Cg_endo -90.75 104.16 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 123.336 2.69 . . . . 0.0 114.572 -175.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.66 113.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.107 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.92 101.48 2.63 Favored Glycine 0 CA--C 1.523 0.577 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.668 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 75' ' ' TYR . . . . . 0.468 ' CE2' HG23 ' G' ' 78' ' ' THR . 0.1 OUTLIER 66.78 69.44 0.41 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 111.118 179.19 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.38 -98.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -99.47 120.38 39.53 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 78' ' ' THR . . . . . 0.468 HG23 ' CE2' ' G' ' 75' ' ' TYR . 17.4 m -83.91 124.01 30.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.96 0.409 . . . . 0.0 111.016 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.4 101.26 0.25 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.67 100.72 0.44 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.94 -166.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.767 0.317 . . . . 0.0 110.69 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.88 -47.46 2.72 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.19 131.13 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.704 0.288 . . . . 0.0 110.493 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 66.6 m -106.72 -65.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.31 104.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.664 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.81 122.31 34.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 70.9 m -135.9 116.98 14.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.95 -171.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.888 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -171.15 163.86 7.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.594 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.31 135.62 6.12 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.745 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.54 -79.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.327 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.64 79.18 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.493 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.62 173.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.724 0.297 . . . . 0.0 110.691 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.5 160.17 43.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.68 117.6 20.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 16.9 t 56.46 55.07 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.221 -0.399 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.658 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.829 0.347 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -66.89 136.9 56.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 45' ' ' THR . . . . . 0.447 HG23 ' O ' ' I' ' 45' ' ' THR . 41.0 m -123.23 136.64 54.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.59 163.29 28.39 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.732 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 54.3 m -127.35 -51.79 1.39 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.451 -0.499 . . . . 0.0 111.715 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 33.7 m -135.88 157.98 45.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 0.0 111.612 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.79 74.52 0.91 Allowed Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.975 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.66 82.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.613 0.244 . . . . 0.0 111.474 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.33 89.32 0.05 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.3 82.99 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 110.567 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -130.52 127.58 39.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.088 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -101.74 146.23 28.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.308 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.15 121.47 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.437 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.22 25.58 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.35 132.5 54.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.582 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -80.86 -27.09 36.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.44 161.17 54.3 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.66 -173.81 2.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.309 . . . . 0.0 110.72 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 50.5 m 57.46 39.73 27.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.687 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.32 99.65 10.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.498 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -114.12 121.24 43.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.637 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.69 123.35 49.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.03 130.6 10.29 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.65 -44.71 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.557 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.04 -136.36 13.43 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 68' ' ' THR . . . . . 0.472 ' OG1' HG22 ' I' ' 68' ' ' THR . 57.3 p -121.39 141.52 50.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.847 0.356 . . . . 0.0 110.587 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.32 164.14 31.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.679 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.3 120.93 18.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.303 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 71' ' ' THR . . . . . 0.425 ' OG1' ' C ' ' G' ' 71' ' ' THR . 30.3 p -73.73 165.58 51.85 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.832 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 72' ' ' PRO . . . . . 0.411 ' C ' ' HB3' ' G' ' 72' ' ' PRO . 41.4 Cg_endo -90.81 104.18 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 123.326 2.684 . . . . 0.0 114.539 -175.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.64 113.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.88 101.42 2.62 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.744 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 75' ' ' TYR . . . . . 0.466 ' CE2' HG23 ' H' ' 78' ' ' THR . 0.1 OUTLIER 66.86 69.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.223 0.535 . . . . 0.0 111.116 179.212 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.41 -98.52 0.01 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.43 120.35 39.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 78' ' ' THR . . . . . 0.466 HG23 ' CE2' ' H' ' 75' ' ' TYR . 17.3 m -83.91 124.17 30.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 111.016 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.52 101.22 0.25 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.68 100.79 0.44 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -60.98 -166.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.826 0.346 . . . . 0.0 110.652 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.93 -47.37 2.71 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.19 131.17 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.762 0.315 . . . . 0.0 110.415 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 67.5 m -106.66 -65.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.699 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? 65.31 104.38 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.78 122.41 34.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -135.96 116.88 14.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.394 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.97 -171.79 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.902 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -170.92 163.97 7.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.618 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.35 135.6 6.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.783 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.52 -79.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.256 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.6 79.23 0.06 OUTLIER Glycine 0 CA--C 1.526 0.758 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.508 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.57 173.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.694 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.54 160.07 43.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.934 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.58 117.62 20.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.5 55.07 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 82.5 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.705 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.801 0.334 . . . . 0.0 110.727 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -66.72 137.08 56.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 45' ' ' THR . . . . . 0.447 ' O ' HG23 ' H' ' 45' ' ' THR . 39.9 m -123.42 136.65 54.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.92 161.89 31.97 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 53.1 m -126.27 -52.41 1.51 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.696 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 34.1 m -135.37 158.03 45.39 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.637 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.87 74.5 0.92 Allowed Glycine 0 C--O 1.225 -0.431 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.967 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 39.4 82.7 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.672 0.273 . . . . 0.0 111.44 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.59 89.32 0.06 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 65.05 83.49 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.456 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 42.8 t -131.04 127.44 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.905 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -101.74 146.17 28.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.351 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.03 121.49 38.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.465 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 79.9 p -152.25 25.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.35 132.43 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.68 -27.2 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.622 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.34 161.2 54.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.74 -173.8 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.655 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 50.5 m 57.45 39.7 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.738 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.39 99.73 10.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.07 121.43 43.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.648 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 84.9 m -114.03 123.38 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.575 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.01 130.43 10.23 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -95.1 -44.09 7.81 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.542 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.9 -136.65 13.62 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 68' ' ' THR . . . . . 0.472 HG22 ' OG1' ' H' ' 68' ' ' THR . 52.2 p -121.23 141.62 50.7 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.542 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.42 164.24 31.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.901 0.381 . . . . 0.0 110.582 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -136.25 121.18 18.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.18 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 71' ' ' THR . . . . . 0.412 ' OG1' ' C ' ' H' ' 71' ' ' THR . 31.2 p -73.1 166.67 41.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.715 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 72' ' ' PRO . . . . . 0.402 ' C ' ' HB3' ' H' ' 72' ' ' PRO . 44.8 Cg_endo -91.17 104.79 0.26 Allowed 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 123.282 2.654 . . . . 0.0 114.387 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -53.98 113.53 1.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.046 0.45 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.07 101.49 2.64 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.634 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 75' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' I' ' 78' ' ' THR . 0.2 OUTLIER 66.98 69.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.028 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.29 -98.26 0.01 OUTLIER Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 30.3 t -99.37 120.63 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 78' ' ' THR . . . . . 0.467 HG23 ' CE2' ' I' ' 75' ' ' TYR . 18.6 m -83.51 124.42 30.72 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.001 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.79 101.13 0.24 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.72 100.9 0.44 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -61.12 -166.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.957 0.408 . . . . 0.0 110.67 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.98 -47.18 2.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.15 131.21 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.692 0.282 . . . . 0.0 110.509 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 67.1 m -106.64 -65.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.26 104.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.85 122.35 34.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 71.0 m -135.85 116.96 14.39 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.303 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.04 -172.45 0.5 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.854 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.0 p -170.32 164.05 8.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.618 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 4.4 m -162.03 136.15 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.863 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -49.42 -79.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.54 78.99 0.07 OUTLIER Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.434 -0.889 . . . . 0.0 111.416 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.44 173.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.82 0.343 . . . . 0.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.58 160.03 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.57 117.64 20.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.385 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 16.6 t 56.37 55.32 6.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.679 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.574 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.709 0.29 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.6 m -130.46 133.66 46.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.699 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.468 HG22 ' OG ' ' A' ' 77' ' ' SER . 25.8 m -136.06 122.84 21.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.318 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -150.08 127.07 11.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.343 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.39 -52.45 9.11 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.637 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 p -132.5 -175.53 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.016 0.436 . . . . 0.0 110.987 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.13 68.44 1.65 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' A' ' 58' ' ' TYR . 10.7 m-85 31.98 71.45 0.08 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.146 0.556 . . . . 0.0 112.077 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.7 96.54 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 67.77 87.06 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.859 0.362 . . . . 0.0 110.447 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.9 t -161.87 144.1 11.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.782 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.8 p -150.36 164.66 35.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.432 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 42.01 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.483 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.8 m -59.97 -41.01 91.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.599 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m 49.76 61.65 3.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' A' ' 50' ' ' TYR . 78.8 m-85 -59.96 -39.47 85.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.18 -150.86 12.03 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.06 27.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.707 0.289 . . . . 0.0 110.807 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.5 t -154.2 -69.15 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.751 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.79 105.06 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.519 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.56 154.59 51.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.003 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -134.35 133.96 41.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.66 -160.53 0.09 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.15 -52.05 12.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.08 -120.55 4.85 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -135.31 125.34 25.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.921 0.391 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -150.77 179.49 8.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.072 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -117.06 109.62 17.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.751 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 173.09 6.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.44 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -44.02 172.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 123.044 2.496 . . . . 0.0 113.623 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -102.94 -160.81 0.8 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.751 -1.113 . . . . 0.0 108.588 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.71 93.14 0.01 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.408 ' CG ' ' HA ' ' B' ' 75' ' ' TYR . 2.4 t80 -178.73 -41.07 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.02 -159.98 2.53 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.468 ' OG ' HG22 ' A' ' 45' ' ' THR . 27.7 t -97.1 90.92 5.32 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.994 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.5 p -65.04 118.84 9.72 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.89 89.93 0.51 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.51 130.3 1.15 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -90.78 53.83 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.053 0.454 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.1 -70.41 0.34 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -159.48 106.88 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.477 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -131.95 85.53 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -136.18 143.15 44.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.441 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 p -163.9 -175.92 4.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.04 0.448 . . . . 0.0 111.289 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -144.98 139.36 27.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.731 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -174.09 -170.56 0.55 Allowed 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.146 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -170.7 167.11 7.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 111.095 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.32 137.18 51.82 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.371 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -139.95 87.92 2.19 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.202 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.87 59.69 0.22 Allowed Glycine 0 CA--C 1.526 0.753 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.581 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -98.53 116.1 30.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 110.635 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.3 137.11 37.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.804 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.98 119.74 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.48 79.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.599 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.522 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.714 0.293 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 61.7 m -130.27 133.56 46.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' THR . . . . . 0.47 HG22 ' OG ' ' B' ' 77' ' ' SER . 25.3 m -135.98 122.81 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.419 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -150.04 127.02 11.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.757 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.4 HG22 ' N ' ' B' ' 48' ' ' SER . 1.0 OUTLIER -77.57 -52.65 8.68 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.59 -179.542 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.4 ' N ' HG22 ' B' ' 47' ' ' THR . 59.7 p -132.4 -175.37 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.097 0.475 . . . . 0.0 110.957 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.64 1.34 Allowed Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 30.66 71.99 0.07 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.965 0.45 . . . . 0.0 112.193 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.08 96.45 0.27 Allowed Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.94 86.89 0.13 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.854 0.359 . . . . 0.0 110.433 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.86 143.82 11.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.816 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 98.4 p -150.2 164.8 34.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.521 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 41.95 30.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.462 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -59.94 -41.07 91.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.578 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m 49.83 61.66 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.522 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -60.0 -39.4 85.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.775 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.25 -150.72 11.86 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.22 27.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 0.0 110.79 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 24.1 t -154.32 -68.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.86 105.03 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -135.52 154.92 51.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.013 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 99.2 m -134.54 134.16 41.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.686 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -160.39 0.09 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.21 -51.94 13.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.736 0.303 . . . . 0.0 110.911 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.86 -120.55 4.86 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.37 125.36 25.85 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.54 -179.97 7.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.427 . . . . 0.0 111.056 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -117.41 109.33 16.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.746 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.83 173.3 6.85 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.341 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -43.82 173.46 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 123.072 2.515 . . . . 0.0 113.557 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' B' ' 90' ' ' SER . 0.0 OUTLIER -104.56 -161.6 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.913 -1.04 . . . . 0.0 108.457 178.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.88 93.17 0.01 OUTLIER Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' C' ' 75' ' ' TYR . 2.4 t80 -178.22 -42.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.983 0.421 . . . . 0.0 110.75 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.46 -159.89 2.91 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.47 ' OG ' HG22 ' B' ' 45' ' ' THR . 27.8 t -97.23 90.62 5.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.69 0.281 . . . . 0.0 110.927 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 65.6 p -64.66 118.94 9.63 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.93 90.18 0.51 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.35 130.31 1.15 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -90.62 54.47 2.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.001 0.429 . . . . 0.0 110.795 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.45 -70.37 0.33 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 25.8 t -159.57 107.09 1.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.848 0.356 . . . . 0.0 110.521 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -132.01 85.51 2.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.354 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.21 142.89 44.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.521 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -163.57 -175.81 4.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.071 0.463 . . . . 0.0 111.374 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -145.05 139.04 27.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.762 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -173.81 -170.45 0.57 Allowed 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.321 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -170.76 166.98 7.82 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' SER . . . . . 0.423 ' HB3' ' NE2' ' B' ' 73' ' ' GLN . 1.3 p -128.17 137.02 51.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.423 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -140.14 88.67 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.215 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.34 60.04 0.22 Allowed Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.623 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.431 ' NE2' ' HG2' ' C' ' 93' ' ' GLN . 31.6 mt-30 -98.65 116.04 30.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 110.617 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.4 137.05 36.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.93 119.73 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.372 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.56 79.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.561 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.713 0.292 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -130.32 133.62 46.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.744 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 45' ' ' THR . . . . . 0.467 HG22 ' OG ' ' C' ' 77' ' ' SER . 25.4 m -135.97 122.81 21.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.386 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -150.05 127.14 11.23 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.682 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' THR . . . . . 0.4 HG22 ' N ' ' C' ' 48' ' ' SER . 1.0 OUTLIER -77.63 -52.71 8.56 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.612 -179.552 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 48' ' ' SER . . . . . 0.4 ' N ' HG22 ' C' ' 47' ' ' THR . 59.9 p -132.37 -175.37 3.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.078 0.466 . . . . 0.0 110.998 -179.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.59 1.35 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 50' ' ' TYR . . . . . 0.411 ' CZ ' ' OH ' ' C' ' 58' ' ' TYR . 10.2 m-85 30.67 71.92 0.07 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.08 96.49 0.27 Allowed Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.92 86.86 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 0.0 110.453 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -161.83 143.85 11.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 100.0 p -150.13 164.78 34.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.39 41.94 30.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.442 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 74.2 m -59.89 -41.03 90.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.654 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 53.3 m 49.73 61.69 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.565 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 58' ' ' TYR . . . . . 0.411 ' OH ' ' CZ ' ' C' ' 50' ' ' TYR . 78.6 m-85 -59.93 -39.58 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.735 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.38 -150.69 11.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.26 27.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 110.794 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 24.3 t -154.32 -69.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.745 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.82 104.98 7.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.501 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.52 155.01 51.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 111.047 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 99.0 m -134.46 134.23 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.98 -160.33 0.09 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.32 -51.94 13.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.684 0.278 . . . . 0.0 110.927 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.92 -120.64 4.89 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -135.34 125.39 25.94 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.565 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.65 -179.97 7.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 111.044 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -117.39 109.43 16.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.713 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.87 173.34 6.8 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.316 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -43.88 173.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 123.066 2.511 . . . . 0.0 113.523 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 73' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' C' ' 90' ' ' SER . 0.0 OUTLIER -104.7 -161.64 0.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.375 178.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.96 93.15 0.01 OUTLIER Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 75' ' ' TYR . . . . . 0.414 ' CG ' ' HA ' ' D' ' 75' ' ' TYR . 2.4 t80 -178.18 -41.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 110.753 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.28 -159.79 2.8 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 77' ' ' SER . . . . . 0.467 ' OG ' HG22 ' C' ' 45' ' ' THR . 27.8 t -97.24 90.66 5.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.683 0.278 . . . . 0.0 110.934 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 64.5 p -64.74 118.85 9.55 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.86 90.29 0.52 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.28 130.31 1.15 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -90.7 54.47 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.916 0.388 . . . . 0.0 110.707 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.39 -70.24 0.33 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 25.8 t -159.63 107.13 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 110.462 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -132.1 85.55 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.25 142.79 44.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.519 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 16.2 p -163.52 -175.82 4.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.008 0.432 . . . . 0.0 111.411 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 66.9 m -145.03 139.01 27.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.718 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -173.78 -170.48 0.58 Allowed 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.348 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -170.77 166.9 7.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.814 0.34 . . . . 0.0 111.079 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 90' ' ' SER . . . . . 0.42 ' HB3' ' NE2' ' C' ' 73' ' ' GLN . 1.3 p -128.13 137.01 51.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.419 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.11 88.69 2.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.265 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.3 60.09 0.23 Allowed Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.619 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 93' ' ' GLN . . . . . 0.431 ' HG2' ' NE2' ' B' ' 93' ' ' GLN . 31.7 mt-30 -98.6 116.02 29.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.733 0.301 . . . . 0.0 110.642 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.36 137.08 36.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 119.77 21.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.64 78.98 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.571 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.704 0.287 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 63.1 m -130.29 133.58 46.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 45' ' ' THR . . . . . 0.47 HG22 ' OG ' ' D' ' 77' ' ' SER . 25.1 m -136.01 122.86 21.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.462 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -150.07 127.01 11.12 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 47' ' ' THR . . . . . 0.401 HG22 ' N ' ' D' ' 48' ' ' SER . 1.0 OUTLIER -77.48 -52.78 8.52 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.629 -179.662 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 48' ' ' SER . . . . . 0.401 ' N ' HG22 ' D' ' 47' ' ' THR . 59.6 p -132.21 -175.32 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.97 0.414 . . . . 0.0 111.11 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.79 69.71 1.32 Allowed Glycine 0 C--O 1.224 -0.483 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 50' ' ' TYR . . . . . 0.411 ' CZ ' ' OH ' ' D' ' 58' ' ' TYR . 10.2 m-85 30.57 72.14 0.06 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 179.28 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.24 96.47 0.28 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.88 86.91 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.39 . . . . 0.0 110.434 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.87 143.85 11.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 97.2 p -150.17 164.75 34.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.557 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.38 41.93 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 73.9 m -59.88 -41.12 90.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 52.7 m 49.88 61.67 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.512 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 58' ' ' TYR . . . . . 0.411 ' OH ' ' CZ ' ' D' ' 50' ' ' TYR . 78.8 m-85 -59.94 -39.59 86.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.38 -150.72 11.77 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.725 0.298 . . . . 0.0 110.778 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 24.4 t -154.29 -69.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.796 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.82 105.01 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.464 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.46 155.03 51.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 111.033 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -134.54 134.13 41.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.758 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.82 -160.37 0.09 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.31 -51.87 13.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.735 0.302 . . . . 0.0 111.03 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.9 -120.6 4.88 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.39 125.42 25.94 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.7 179.97 7.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.952 0.406 . . . . 0.0 111.026 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -117.36 109.44 16.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.682 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.96 173.39 6.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.31 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -43.81 173.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 123.06 2.507 . . . . 0.0 113.504 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 73' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' D' ' 90' ' ' SER . 0.0 OUTLIER -104.71 -161.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.341 178.865 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.95 93.05 0.01 OUTLIER Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 75' ' ' TYR . . . . . 0.423 ' CG ' ' HA ' ' E' ' 75' ' ' TYR . 2.4 t80 -178.07 -41.94 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.939 0.399 . . . . 0.0 110.754 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.34 -159.91 2.81 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 77' ' ' SER . . . . . 0.47 ' OG ' HG22 ' D' ' 45' ' ' THR . 27.6 t -97.2 90.77 5.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.737 0.304 . . . . 0.0 110.951 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 65.8 p -64.62 118.83 9.44 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.886 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.89 90.17 0.51 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.34 130.4 1.16 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -90.72 54.57 2.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.983 0.42 . . . . 0.0 110.74 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.46 -70.26 0.33 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 25.1 t -159.7 107.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.438 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.13 85.43 2.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.348 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.13 142.84 44.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -163.58 -175.92 4.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.002 0.43 . . . . 0.0 111.367 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -144.94 139.08 27.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.77 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -173.82 -170.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.345 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -170.7 166.97 7.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 90' ' ' SER . . . . . 0.42 ' HB3' ' NE2' ' D' ' 73' ' ' GLN . 1.3 p -128.14 136.92 51.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.398 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -140.1 88.77 2.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.235 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.28 60.12 0.23 Allowed Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.667 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 93' ' ' GLN . . . . . 0.429 ' HG2' ' NE2' ' C' ' 93' ' ' GLN . 31.6 mt-30 -98.64 115.97 29.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.738 0.304 . . . . 0.0 110.697 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.32 137.03 37.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.95 119.84 21.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 33.4 t 58.52 79.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.542 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.531 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.698 0.285 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 61.8 m -130.28 133.59 46.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.803 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 45' ' ' THR . . . . . 0.47 HG22 ' OG ' ' E' ' 77' ' ' SER . 25.3 m -136.02 122.74 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.46 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.94 127.96 11.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 47' ' ' THR . . . . . 0.424 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -81.1 -49.39 10.92 Favored 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 119.11 -1.036 . . . . 0.0 111.888 -178.34 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' E' E ' 48' ' ' SER . . . . . 0.424 ' N ' HG22 ' E' ' 47' ' ' THR . 57.0 p -130.93 -175.38 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.066 0.46 . . . . 0.0 111.59 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 69.07 70.64 1.12 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 177.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' E' ' 49' ' ' GLY . 10.9 m-85 27.11 76.64 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.323 0.649 . . . . 0.0 110.953 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.61 93.89 0.27 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 68.97 87.16 0.12 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 15.6 t -162.0 143.86 11.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 99.6 p -149.95 165.14 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.373 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.17 41.9 31.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 110.427 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 74.1 m -59.83 -41.18 90.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.623 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 53.7 m 49.91 61.68 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' E' ' 50' ' ' TYR . 78.6 m-85 -59.99 -39.59 86.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.725 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.41 -150.6 11.65 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.33 26.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.718 0.294 . . . . 0.0 110.755 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 23.9 t -154.27 -69.09 0.14 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.78 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.68 104.2 6.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.694 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -134.98 155.1 51.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.944 0.402 . . . . 0.0 111.019 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -134.57 134.01 40.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.597 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.96 -161.98 0.1 OUTLIER Glycine 0 CA--C 1.524 0.656 0 O-C-N 124.621 1.2 . . . . 0.0 111.03 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.44 -52.36 10.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.641 0.258 . . . . 0.0 110.922 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.14 -120.27 4.75 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -135.8 125.13 24.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.124 0.964 . . . . 0.0 110.795 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -151.09 179.39 8.31 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.297 -0.877 . . . . 0.0 110.755 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 94.5 p -117.71 111.63 19.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.43 173.27 6.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 125.02 1.45 . . . . 0.0 109.771 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -44.53 174.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.504 2.104 0 C-N-CA 122.902 2.401 . . . . 0.0 113.474 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 73' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' E' ' 90' ' ' SER . 0.0 OUTLIER -104.51 -161.24 0.81 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.607 -1.178 . . . . 0.0 108.468 179.101 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.67 91.82 0.01 OUTLIER Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 75' ' ' TYR . . . . . 0.423 ' HA ' ' CG ' ' D' ' 75' ' ' TYR . 2.4 t80 -177.54 -41.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.361 . . . . 0.0 111.09 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.99 -159.66 2.61 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 77' ' ' SER . . . . . 0.47 ' OG ' HG22 ' E' ' 45' ' ' THR . 28.2 t -96.89 89.8 5.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.432 0.158 . . . . 0.0 111.164 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 59.6 p -64.39 119.38 10.24 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.52 89.31 0.49 Allowed Glycine 0 CA--C 1.541 1.684 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.297 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.28 129.54 1.08 Allowed Glycine 0 C--N 1.343 0.933 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -90.34 56.48 3.38 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.677 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -120.6 -69.88 0.29 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 25.6 t -159.86 107.06 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -131.67 84.48 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.07 0.856 . . . . 0.0 110.275 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -135.63 142.3 45.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.68 0.276 . . . . 0.0 110.492 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 16.9 p -163.17 -176.49 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.048 0.452 . . . . 0.0 111.391 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 66.6 m -144.61 139.12 27.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.716 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -173.86 -170.49 0.57 Allowed 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.448 0.642 . . . . 0.0 111.321 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 88.6 p -169.7 168.34 9.08 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.834 -0.542 . . . . 0.0 111.078 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 90' ' ' SER . . . . . 0.421 ' HB3' ' NE2' ' E' ' 73' ' ' GLN . 1.3 p -128.69 136.94 51.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.759 178.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -139.46 88.45 2.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.489 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.38 59.82 0.22 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.566 -0.613 . . . . 0.0 111.566 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 93' ' ' GLN . . . . . 0.429 ' HG2' ' NE2' ' D' ' 93' ' ' GLN . 31.9 mt-30 -96.49 115.56 27.64 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.992 -0.122 . . . . 0.0 111.157 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.28 137.1 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.828 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.44 119.68 21.95 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.196 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 33.2 t 58.61 79.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.723 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.608 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.676 0.274 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 62.3 m -130.36 133.62 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.753 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 45' ' ' THR . . . . . 0.468 HG22 ' OG ' ' F' ' 77' ' ' SER . 25.4 m -136.16 122.91 21.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.41 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -150.03 127.18 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.718 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 47' ' ' THR . . . . . 0.403 HG22 ' N ' ' F' ' 48' ' ' SER . 1.0 OUTLIER -77.61 -52.78 8.46 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.595 -179.62 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' F' F ' 48' ' ' SER . . . . . 0.403 ' N ' HG22 ' F' ' 47' ' ' THR . 59.7 p -132.24 -175.43 3.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.028 0.442 . . . . 0.0 111.042 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.98 69.87 1.29 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 50' ' ' TYR . . . . . 0.41 ' CZ ' ' OH ' ' F' ' 58' ' ' TYR . 10.2 m-85 30.37 72.02 0.06 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.13 96.42 0.27 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.9 86.86 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.907 0.384 . . . . 0.0 110.425 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.79 143.8 11.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.799 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -150.13 164.79 34.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.35 42.03 30.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.457 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -59.91 -41.04 90.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.662 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 52.9 m 49.73 61.73 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.521 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 58' ' ' TYR . . . . . 0.41 ' OH ' ' CZ ' ' F' ' 50' ' ' TYR . 78.6 m-85 -59.97 -39.55 86.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.34 -150.69 11.77 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.71 0.29 . . . . 0.0 110.758 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 24.0 t -154.34 -69.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.78 105.02 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.474 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.57 155.1 51.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.918 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -134.63 134.16 40.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.662 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.88 -160.34 0.09 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.38 -51.85 14.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.65 0.262 . . . . 0.0 110.962 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.88 -120.63 4.89 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -135.44 125.41 25.83 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.632 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -150.66 -179.96 7.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 111.026 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 97.4 p -117.32 109.41 16.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.683 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.97 173.37 6.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.327 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -43.8 173.6 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 123.088 2.525 . . . . 0.0 113.474 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 73' ' ' GLN . . . . . 0.417 ' NE2' ' HB3' ' F' ' 90' ' ' SER . 0.0 OUTLIER -104.71 -161.67 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.355 178.923 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.89 93.13 0.01 OUTLIER Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 75' ' ' TYR . . . . . 0.417 ' CG ' ' HA ' ' G' ' 75' ' ' TYR . 2.4 t80 -178.21 -41.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 110.683 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.33 -159.87 2.81 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 77' ' ' SER . . . . . 0.468 ' OG ' HG22 ' F' ' 45' ' ' THR . 27.9 t -97.23 90.66 5.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.693 0.282 . . . . 0.0 110.886 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 65.2 p -64.66 118.91 9.58 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.86 90.12 0.51 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.36 130.36 1.16 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -90.63 54.51 2.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.921 0.391 . . . . 0.0 110.756 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.4 -70.28 0.33 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 25.6 t -159.59 107.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.831 0.348 . . . . 0.0 110.514 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.08 85.5 2.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.24 142.72 44.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.588 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -163.45 -175.86 4.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.017 0.437 . . . . 0.0 111.449 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 66.9 m -145.0 139.09 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.686 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -173.77 -170.49 0.58 Allowed 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.31 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -170.79 166.93 7.76 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 90' ' ' SER . . . . . 0.417 ' HB3' ' NE2' ' F' ' 73' ' ' GLN . 1.3 p -128.05 136.97 51.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.46 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.14 88.73 2.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.247 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.29 60.12 0.23 Allowed Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.61 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 93' ' ' GLN . . . . . 0.429 ' NE2' ' HG2' ' G' ' 93' ' ' GLN . 31.7 mt-30 -98.63 115.94 29.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.741 0.305 . . . . 0.0 110.635 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.35 137.04 36.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.89 119.68 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.479 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.58 79.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.562 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.537 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.706 0.288 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 62.4 m -130.35 133.61 46.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.745 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 45' ' ' THR . . . . . 0.469 HG22 ' OG ' ' G' ' 77' ' ' SER . 25.3 m -135.98 122.82 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.4 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -150.05 127.06 11.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.705 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 47' ' ' THR . . . . . 0.405 HG22 ' N ' ' G' ' 48' ' ' SER . 1.0 OUTLIER -77.55 -52.81 8.43 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.554 -179.563 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' G' G ' 48' ' ' SER . . . . . 0.405 ' N ' HG22 ' G' ' 47' ' ' THR . 59.7 p -132.2 -175.33 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.0 0.429 . . . . 0.0 111.135 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.84 69.75 1.31 Allowed Glycine 0 C--O 1.224 -0.514 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' G' ' 58' ' ' TYR . 10.2 m-85 30.64 71.89 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.13 96.43 0.27 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.92 86.89 0.13 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.86 0.362 . . . . 0.0 110.448 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -161.85 143.7 11.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -150.07 164.73 34.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.543 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 42.0 30.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.481 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 73.9 m -59.89 -41.01 90.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.636 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 53.1 m 49.82 61.69 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.485 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' G' ' 50' ' ' TYR . 79.0 m-85 -59.99 -39.47 85.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.804 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.32 -150.7 11.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.35 27.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.689 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 24.1 t -154.34 -69.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.85 105.04 7.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.473 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.59 155.03 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -134.5 134.17 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.704 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.85 -160.34 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.4 -51.92 14.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.682 0.277 . . . . 0.0 110.905 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.88 -120.61 4.88 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.37 125.31 25.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.653 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.59 -179.93 7.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.009 0.433 . . . . 0.0 111.067 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -117.5 109.42 16.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.702 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.91 173.34 6.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.299 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.87 173.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 123.102 2.535 . . . . 0.0 113.47 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 73' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' G' ' 90' ' ' SER . 0.0 OUTLIER -104.59 -161.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.422 178.854 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.83 93.02 0.01 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 75' ' ' TYR . . . . . 0.417 ' HA ' ' CG ' ' F' ' 75' ' ' TYR . 2.4 t80 -178.03 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.983 0.421 . . . . 0.0 110.74 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.3 -159.86 2.79 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 77' ' ' SER . . . . . 0.469 ' OG ' HG22 ' G' ' 45' ' ' THR . 27.8 t -97.29 90.68 5.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.731 0.3 . . . . 0.0 110.915 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 64.9 p -64.67 118.92 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.93 90.21 0.52 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.36 130.36 1.16 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -90.59 54.4 2.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.935 0.398 . . . . 0.0 110.783 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.37 -70.27 0.33 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 25.3 t -159.62 107.15 1.72 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.808 0.337 . . . . 0.0 110.473 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -132.12 85.51 2.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.15 142.82 44.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.612 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -163.52 -175.89 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.075 0.464 . . . . 0.0 111.374 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -144.94 139.12 27.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.724 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -173.87 -170.55 0.57 Allowed 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.287 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -170.69 166.96 7.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.857 0.361 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 90' ' ' SER . . . . . 0.416 ' HB3' ' NE2' ' G' ' 73' ' ' GLN . 1.3 p -128.12 136.94 51.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.415 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.12 88.85 2.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.196 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.17 60.06 0.23 Allowed Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.736 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 93' ' ' GLN . . . . . 0.429 ' HG2' ' NE2' ' F' ' 93' ' ' GLN . 31.7 mt-30 -98.57 116.03 29.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.709 0.29 . . . . 0.0 110.646 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.46 137.13 36.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.9 0.381 . . . . 0.0 110.771 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 119.76 21.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.394 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.54 79.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.62 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.567 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.744 0.306 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -130.36 133.7 46.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.705 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 45' ' ' THR . . . . . 0.468 HG22 ' OG ' ' H' ' 77' ' ' SER . 25.4 m -136.07 122.76 21.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.366 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -149.95 127.23 11.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.68 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 47' ' ' THR . . . . . 0.402 HG22 ' N ' ' H' ' 48' ' ' SER . 1.0 OUTLIER -77.65 -52.81 8.38 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.55 -179.639 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' H' H ' 48' ' ' SER . . . . . 0.402 ' N ' HG22 ' H' ' 47' ' ' THR . 59.8 p -132.26 -175.45 3.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.039 0.447 . . . . 0.0 111.008 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.72 1.32 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' H' ' 58' ' ' TYR . 10.4 m-85 30.59 71.94 0.07 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.02 96.45 0.27 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.87 86.84 0.13 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.912 0.387 . . . . 0.0 110.424 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 15.7 t -161.77 143.69 11.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 97.6 p -150.05 164.79 34.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.508 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.39 41.95 30.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.473 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -59.9 -41.01 90.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.619 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 52.8 m 49.71 61.7 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' H' ' 50' ' ' TYR . 78.7 m-85 -60.0 -39.43 85.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.28 -150.7 11.82 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.33 27.16 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.698 0.285 . . . . 0.0 110.744 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 24.2 t -154.38 -69.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.806 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.77 104.97 7.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.5 155.0 51.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 111.01 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 99.6 m -134.61 134.22 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.71 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.91 -160.3 0.09 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.28 -52.01 13.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.657 0.265 . . . . 0.0 110.9 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.89 -120.68 4.91 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.33 125.3 25.8 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.587 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -150.58 -180.0 7.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.992 0.425 . . . . 0.0 111.028 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -117.38 109.52 16.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.682 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.01 173.38 6.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.317 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -43.88 173.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 123.094 2.529 . . . . 0.0 113.467 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 73' ' ' GLN . . . . . 0.414 ' NE2' ' HB3' ' H' ' 90' ' ' SER . 0.0 OUTLIER -104.74 -161.61 0.83 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.393 178.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.02 93.18 0.01 OUTLIER Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 75' ' ' TYR . . . . . 0.417 ' HA ' ' CG ' ' G' ' 75' ' ' TYR . 2.4 t80 -178.04 -42.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.001 0.429 . . . . 0.0 110.707 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.47 -159.79 2.96 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 77' ' ' SER . . . . . 0.468 ' OG ' HG22 ' H' ' 45' ' ' THR . 27.8 t -97.31 90.61 5.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.656 0.265 . . . . 0.0 110.909 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -64.57 119.0 9.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.94 90.25 0.52 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.29 130.39 1.16 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -90.74 54.57 2.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.895 0.379 . . . . 0.0 110.677 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.45 -70.27 0.33 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 25.0 t -159.56 107.11 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.443 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.03 85.51 2.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.378 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -136.22 142.77 44.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.5 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 16.4 p -163.48 -175.93 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.031 0.443 . . . . 0.0 111.429 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 67.2 m -144.9 139.11 27.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.734 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -173.84 -170.66 0.58 Allowed 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.324 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.6 p -170.55 167.01 8.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.85 0.357 . . . . 0.0 111.088 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 90' ' ' SER . . . . . 0.414 ' HB3' ' NE2' ' H' ' 73' ' ' GLN . 1.3 p -128.15 137.02 51.91 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.393 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -140.16 88.92 2.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.188 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.1 60.18 0.23 Allowed Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.69 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 93' ' ' GLN . . . . . 0.428 ' HG2' ' NE2' ' G' ' 93' ' ' GLN . 31.7 mt-30 -98.61 116.0 29.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.683 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.41 137.05 36.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.99 119.82 21.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.59 79.06 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.562 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.516 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.666 0.27 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 62.2 m -130.26 133.57 46.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.734 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 45' ' ' THR . . . . . 0.467 HG22 ' OG ' ' I' ' 77' ' ' SER . 24.7 m -136.09 122.78 21.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.462 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -149.77 128.39 12.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.683 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -52.61 7.94 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.249 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -132.53 -175.38 3.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.987 0.422 . . . . 0.0 111.032 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.02 69.62 1.34 Allowed Glycine 0 C--O 1.224 -0.512 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 50' ' ' TYR . . . . . 0.408 ' CZ ' ' OH ' ' I' ' 58' ' ' TYR . 10.2 m-85 30.51 73.28 0.05 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.896 0.409 . . . . 0.0 111.974 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.32 96.39 0.33 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 67.81 86.56 0.13 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.818 0.342 . . . . 0.0 110.452 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 16.2 t -161.56 143.82 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.784 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 98.1 p -150.13 164.85 34.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.456 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.28 42.13 30.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -60.05 -41.1 91.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 52.3 m 49.76 61.65 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 58' ' ' TYR . . . . . 0.408 ' OH ' ' CZ ' ' I' ' 50' ' ' TYR . 78.8 m-85 -59.95 -39.45 85.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.748 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.25 -150.71 11.84 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.686 0.279 . . . . 0.0 110.744 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 24.0 t -154.2 -69.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.378 . . . . 0.0 110.79 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.83 105.07 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.73 155.14 50.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 110.796 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.6 m -134.45 134.48 41.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.694 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.21 -160.11 0.1 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.53 -51.65 15.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.431 0.157 . . . . 0.0 110.853 -179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.7 -120.82 4.97 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 19.5 p -135.09 126.49 28.49 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.475 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -151.87 179.83 8.1 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.875 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 97.2 p -117.3 109.99 17.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.622 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.35 173.06 7.01 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.197 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -44.3 174.22 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.957 2.438 . . . . 0.0 113.421 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 73' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' I' ' 90' ' ' SER . 0.0 OUTLIER -104.65 -161.43 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.56 178.882 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.87 93.25 0.01 OUTLIER Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 75' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' I' ' 73' ' ' GLN . 2.5 t80 -177.68 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.014 0.435 . . . . 0.0 110.444 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.24 -159.23 3.89 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 77' ' ' SER . . . . . 0.467 ' OG ' HG22 ' I' ' 45' ' ' THR . 27.6 t -97.91 90.49 4.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.617 0.246 . . . . 0.0 110.724 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 62.6 p -64.27 118.94 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.81 90.34 0.52 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.25 130.51 1.17 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -90.75 55.19 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.337 . . . . 0.0 110.61 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.73 -70.12 0.32 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 24.3 t -159.76 107.18 1.69 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 0.0 110.429 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -132.03 85.66 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.272 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.24 142.59 44.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.528 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 16.5 p -163.44 -176.57 4.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.386 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 66.7 m -144.24 139.12 28.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.809 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -174.04 -171.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.291 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -169.8 167.13 9.44 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.935 0.398 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 90' ' ' SER . . . . . 0.416 ' HB3' ' NE2' ' I' ' 73' ' ' GLN . 1.3 p -127.96 136.84 51.87 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.517 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -140.37 89.47 2.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.051 0.453 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.7 60.61 0.24 Allowed Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.67 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 93' ' ' GLN . . . . . 0.426 ' HG2' ' NE2' ' H' ' 93' ' ' GLN . 31.7 mt-30 -98.56 115.83 29.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.727 0.299 . . . . 0.0 110.724 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.39 137.05 36.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.787 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.85 119.77 21.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.381 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.54 79.05 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.64 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.59 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.774 0.321 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -141.08 143.88 34.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.523 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -144.65 143.31 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.779 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -146.88 146.72 30.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.045 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.99 -52.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.186 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.1 t -134.57 129.45 35.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.677 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.98 76.23 0.87 Allowed Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.282 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 31.28 69.9 0.09 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.05 0.5 . . . . 0.0 112.217 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.65 95.22 0.45 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.2 94.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.445 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -159.11 160.1 35.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.239 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.8 m -133.41 138.89 46.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.809 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 48.78 29.73 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.791 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.36 152.58 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.349 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.4 m 49.16 38.11 12.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.61 134.21 56.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.676 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.22 -177.44 38.26 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.52 -35.0 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 110.41 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.9 m -128.46 148.13 50.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.411 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.81 55.87 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.47 113.02 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.633 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -119.92 131.85 55.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.04 -161.39 0.19 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -51.7 12.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.935 0.398 . . . . 0.0 111.132 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.39 -119.88 4.59 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.7 p -116.75 110.56 18.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.034 0.445 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.87 160.26 41.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.36 122.89 42.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.571 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.525 HG22 ' CD ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -79.71 170.47 15.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.914 179.783 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.525 ' CD ' HG22 ' A' ' 71' ' ' THR . 51.6 Cg_exo -53.39 106.24 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.323 2.015 . . . . 0.0 112.974 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -69.18 113.47 6.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.46 -85.63 0.39 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -116.27 108.05 15.62 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.275 0.559 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.54 -86.1 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.85 173.82 14.77 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.513 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.435 ' OG1' HG22 ' B' ' 78' ' ' THR . 80.9 p -136.35 166.88 22.43 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.467 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.11 -134.83 1.61 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.05 -93.61 2.22 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -49.08 165.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 79.94 59.86 2.53 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 82' ' ' GLY . 68.2 m -22.72 126.12 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 124.619 0.835 . . . . 0.0 112.146 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.402 ' CB ' HG21 ' A' ' 78' ' ' THR . 60.8 p -103.06 107.48 18.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.114 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.26 103.03 9.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.992 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.2 m -140.39 156.99 46.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.021 0.438 . . . . 0.0 111.245 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.88 134.83 33.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.016 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.5 -176.25 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.955 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.6 p -169.09 160.52 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.6 t -164.06 144.2 8.16 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -145.93 73.08 1.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.257 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.29 53.03 0.09 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -97.36 112.17 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.712 0.291 . . . . 0.0 110.801 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.85 120.59 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.552 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.42 131.74 42.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.429 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.8 m 56.25 49.48 15.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.515 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.55 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.808 0.337 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.92 143.77 34.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.672 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.59 142.98 30.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.788 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -146.47 146.33 30.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.266 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.05 -52.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.34 129.87 36.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.615 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 109.21 78.89 1.07 Allowed Glycine 0 C--O 1.222 -0.61 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.854 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' B' ' 49' ' ' GLY . 9.4 m-85 28.41 70.61 0.06 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 95.29 0.47 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.24 94.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.362 . . . . 0.0 110.46 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.2 p -159.24 160.0 34.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 59.0 m -133.41 138.92 46.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.689 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.815 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.24 152.65 44.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.34 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.16 38.13 12.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.62 134.21 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.711 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.13 -177.08 37.95 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.9 -35.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.322 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 63.9 m -128.54 148.05 50.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.375 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.92 55.83 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.517 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.55 113.09 24.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.613 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -119.87 131.93 55.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.07 -161.22 0.19 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -51.67 13.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.715 0.293 . . . . 0.0 111.056 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.45 -119.92 4.6 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.61 110.4 18.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.515 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.74 160.37 40.85 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 74.8 m -119.37 122.89 42.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.604 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' THR . . . . . 0.529 HG22 ' CD ' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -79.75 170.25 16.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.902 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 72' ' ' PRO . . . . . 0.529 ' CD ' HG22 ' B' ' 71' ' ' THR . 53.0 Cg_exo -53.4 104.44 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.417 2.078 . . . . 0.0 113.249 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -67.21 113.75 5.4 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.5 -85.65 0.39 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.03 108.12 15.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.967 0.413 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.77 -85.67 0.03 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.76 174.16 14.33 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.507 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.436 ' OG1' HG22 ' C' ' 78' ' ' THR . 81.6 p -136.43 167.47 21.28 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.398 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.64 -134.77 1.8 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.02 -93.61 2.22 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.02 164.92 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' B' ' 83' ' ' SER . . . 79.71 60.51 2.45 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' SER . . . . . 0.422 ' C ' ' O ' ' B' ' 82' ' ' GLY . 68.2 m -23.35 126.25 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 O-C-N 124.53 0.782 . . . . 0.0 112.114 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.402 ' CB ' HG21 ' B' ' 78' ' ' THR . 60.6 p -103.13 107.55 18.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.071 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.23 102.99 9.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.949 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 63.7 m -140.28 157.06 46.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.96 0.41 . . . . 0.0 111.226 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.89 134.79 33.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.041 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.45 -176.26 5.68 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.052 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -169.01 160.39 9.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.559 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 38.1 t -163.93 144.22 8.36 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.209 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.17 74.68 1.38 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.062 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.74 52.98 0.08 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.33 112.05 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.801 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.81 120.7 31.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.544 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.53 131.72 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.383 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 61.2 m 56.17 49.56 15.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.557 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.5 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.829 0.347 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.92 143.76 34.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.587 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.63 142.95 30.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.744 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -146.42 146.31 30.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.249 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.1 -52.64 1.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.208 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -134.33 129.95 36.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.624 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 109.14 79.03 1.09 Allowed Glycine 0 C--O 1.222 -0.601 0 C-N-CA 120.346 -0.93 . . . . 0.0 111.887 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' C' ' 49' ' ' GLY . 9.4 m-85 28.28 70.65 0.06 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 95.15 0.47 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.31 94.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 110.374 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -159.23 160.0 34.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.287 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 58.6 m -133.38 138.89 46.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.798 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.86 29.63 2.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.771 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.23 152.56 44.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.391 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m 49.21 38.14 12.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -62.69 134.27 56.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.696 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.1 -176.98 37.86 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -135.94 -35.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.355 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 63.4 m -128.48 148.15 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.385 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.8 55.86 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.53 113.08 24.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.641 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -119.77 131.98 55.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.26 -161.19 0.2 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -51.61 13.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.745 0.307 . . . . 0.0 111.099 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.45 -119.89 4.59 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.65 110.39 18.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.493 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -143.76 160.39 40.82 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.41 122.84 42.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 71' ' ' THR . . . . . 0.528 HG22 ' CD ' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -79.68 170.27 16.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.926 179.776 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 72' ' ' PRO . . . . . 0.528 ' CD ' HG22 ' C' ' 71' ' ' THR . 52.8 Cg_exo -53.5 104.21 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.469 2.113 . . . . 0.0 113.286 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.94 113.75 5.21 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.307 0.379 . . . . 0.0 110.121 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.65 -85.83 0.39 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.02 108.35 16.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.422 . . . . 0.0 110.747 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.86 -85.67 0.03 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.71 174.21 14.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.53 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.436 HG22 ' OG1' ' B' ' 78' ' ' THR . 81.5 p -136.45 167.54 21.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.64 -134.76 1.8 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.04 -93.52 2.22 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.13 164.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 82' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' C' ' 83' ' ' SER . . . 79.68 60.68 2.42 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 83' ' ' SER . . . . . 0.423 ' C ' ' O ' ' C' ' 82' ' ' GLY . 68.6 m -23.48 126.26 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.675 0 O-C-N 124.492 0.76 . . . . 0.0 112.072 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 84' ' ' SER . . . . . 0.404 ' CB ' HG21 ' C' ' 78' ' ' THR . 60.4 p -103.14 107.59 18.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.074 -178.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -117.33 102.92 9.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.971 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 63.3 m -140.14 157.01 46.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 111.302 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.85 134.93 33.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.986 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.5 -176.32 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.996 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 90.2 p -168.91 160.53 10.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 38.2 t -163.99 144.21 8.27 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.276 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.25 74.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.043 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.67 53.02 0.08 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.32 112.07 24.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.92 120.62 30.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.499 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.5 131.7 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.415 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m 56.21 49.58 15.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.513 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.587 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.818 0.342 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.96 143.71 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.627 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -144.57 142.95 30.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -146.42 146.31 30.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.189 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.01 -52.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.13 130.03 36.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.67 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 109.16 78.92 1.08 Allowed Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.326 -0.94 . . . . 0.0 111.886 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 50' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' E' ' 49' ' ' GLY . 9.4 m-85 28.36 70.67 0.06 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.97 95.18 0.47 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.35 94.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.458 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 86.7 p -159.22 159.97 34.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 59.2 m -133.39 138.99 46.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.74 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.87 29.54 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.789 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 83.7 p -69.2 152.58 44.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.415 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.19 38.17 12.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.72 134.26 56.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.679 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -176.92 37.81 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -136.0 -35.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.905 0.383 . . . . 0.0 110.335 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 63.7 m -128.43 148.17 50.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.78 55.8 8.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.582 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.45 113.19 25.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.687 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -120.02 131.96 55.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.07 -161.22 0.19 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -51.63 13.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.655 0.264 . . . . 0.0 111.059 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.43 -119.85 4.58 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -116.65 110.31 18.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.557 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.7 160.4 40.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.924 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.42 122.86 42.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 71' ' ' THR . . . . . 0.527 HG22 ' CD ' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -79.73 170.31 16.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.901 179.75 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 72' ' ' PRO . . . . . 0.527 ' CD ' HG22 ' D' ' 71' ' ' THR . 52.7 Cg_exo -53.5 104.07 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.548 2.165 . . . . 0.0 113.343 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.77 113.71 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.328 0.393 . . . . 0.0 110.187 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.56 -85.79 0.39 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.09 108.13 15.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.97 0.414 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.65 -85.69 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 88.5 p -160.7 174.19 14.32 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 122.421 -0.458 . . . . 0.0 111.633 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 78' ' ' THR . . . . . 0.44 ' OG1' HG22 ' E' ' 78' ' ' THR . 81.1 p -136.36 167.39 21.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.749 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.56 -135.02 1.81 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.536 -1.025 . . . . 0.0 110.536 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -101.83 -93.87 2.21 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -48.83 165.0 0.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 82' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' D' ' 83' ' ' SER . . . 79.62 60.71 2.42 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 83' ' ' SER . . . . . 0.424 ' C ' ' O ' ' D' ' 82' ' ' GLY . 67.8 m -23.48 126.23 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 124.547 0.793 . . . . 0.0 112.151 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 84' ' ' SER . . . . . 0.403 ' CB ' HG21 ' D' ' 78' ' ' THR . 60.3 p -103.15 107.52 18.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.016 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -117.33 102.99 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.944 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 64.2 m -140.3 156.97 46.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 111.271 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 42.5 t -138.75 134.89 34.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.983 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.49 -176.25 5.67 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.101 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 90.5 p -168.96 160.43 10.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.522 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 37.9 t -163.94 144.29 8.37 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.185 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -146.31 75.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.988 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 53.0 0.08 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.31 112.1 24.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.91 120.64 30.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.479 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.48 131.75 42.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.409 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m 56.19 49.59 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.52 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.592 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.804 0.335 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -140.44 143.71 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.44 143.24 30.8 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.824 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -146.05 146.54 30.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.367 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 47' ' ' THR . . . . . 0.417 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -122.8 -50.47 1.95 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.179 178.035 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' E' E ' 48' ' ' SER . . . . . 0.417 ' N ' HG22 ' E' ' 47' ' ' THR . 35.6 t -131.17 128.3 39.75 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.88 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 49' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.84 72.1 0.63 Allowed Glycine 0 C--O 1.216 -0.972 0 C-N-CA 117.872 -2.108 . . . . 0.0 113.327 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 50' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' E' ' 49' ' ' GLY . 10.3 m-85 28.27 75.5 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.382 0.61 . . . . 0.0 111.065 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.6 92.85 0.53 Allowed Glycine 0 CA--C 1.519 0.322 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 68.27 94.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.371 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -159.3 160.0 34.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 59.3 m -133.24 139.27 46.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.57 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.76 29.46 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.699 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.25 152.55 44.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.365 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m 49.23 38.12 12.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.68 134.27 56.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.672 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.14 -177.04 37.93 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.92 -35.13 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.378 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 62.8 m -128.5 148.1 50.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.395 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 52.35 56.73 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.414 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -95.13 113.62 25.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.488 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -120.15 131.79 55.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.57 -162.22 0.19 Allowed Glycine 0 CA--C 1.526 0.758 0 O-C-N 123.973 0.796 . . . . 0.0 111.211 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.52 -51.92 11.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.7 0.286 . . . . 0.0 111.087 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.31 -119.74 4.55 Favored Glycine 0 N--CA 1.466 0.673 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.81 109.96 17.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.785 0.326 . . . . 0.0 110.544 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.55 160.5 40.51 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.806 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 75.6 m -119.76 123.73 44.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.42 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 71' ' ' THR . . . . . 0.522 HG22 ' CD ' ' E' ' 72' ' ' PRO . 0.0 OUTLIER -80.4 170.11 17.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 O-C-N 124.216 0.948 . . . . 0.0 109.675 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' E' E ' 72' ' ' PRO . . . . . 0.522 ' CD ' HG22 ' E' ' 71' ' ' THR . 51.3 Cg_exo -54.77 108.06 0.27 Allowed 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.534 1.489 . . . . 0.0 112.36 -177.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -69.3 114.56 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.841 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.92 -85.85 0.39 Allowed Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -115.58 106.11 13.55 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.603 0.239 . . . . 0.0 111.362 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.74 -84.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.671 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -161.18 174.27 13.89 Favored 'General case' 0 CA--C 1.527 0.058 0 CA-C-N 117.266 0.533 . . . . 0.0 111.471 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 78' ' ' THR . . . . . 0.44 HG22 ' OG1' ' D' ' 78' ' ' THR . 81.5 p -136.46 167.05 22.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.55 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.72 -133.63 1.63 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -103.34 -91.82 2.21 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.208 -0.996 . . . . 0.0 111.53 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -50.09 164.14 0.12 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.321 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 82' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' E' ' 83' ' ' SER . . . 84.74 53.96 3.06 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 118.396 -1.859 . . . . 0.0 110.584 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 83' ' ' SER . . . . . 0.441 ' C ' ' O ' ' E' ' 82' ' ' GLY . 66.9 m -20.79 125.95 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 O-C-N 124.148 0.557 . . . . 0.0 112.368 -177.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 84' ' ' SER . . . . . 0.405 ' CB ' HG21 ' E' ' 78' ' ' THR . 58.5 p -103.14 106.21 16.68 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.77 -177.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -116.44 101.98 9.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.332 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 64.3 m -140.04 156.73 46.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.935 0.397 . . . . 0.0 111.084 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.78 134.8 33.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.037 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.53 -176.31 5.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.065 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 90.8 p -168.6 160.37 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.465 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 38.3 t -162.96 144.62 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.307 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.09 74.83 1.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.273 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.98 52.54 0.08 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -96.25 111.93 23.83 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.984 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.83 120.7 31.22 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.18 0.3 . . . . 0.0 110.537 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.2 131.65 42.37 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.465 0.478 . . . . 0.0 110.07 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 62.1 m 56.38 49.5 14.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.67 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.542 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.794 0.33 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -140.98 143.79 34.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.63 142.97 30.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -146.38 146.32 30.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.265 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.05 -52.78 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.13 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 40.7 t -134.26 129.75 36.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.625 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 49' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' E' ' 50' ' ' TYR . . . 109.3 79.16 1.09 Allowed Glycine 0 CA--C 1.523 0.539 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.928 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 50' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' F' ' 49' ' ' GLY . 9.4 m-85 28.01 70.86 0.06 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 178.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.02 95.21 0.48 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.24 94.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 110.417 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 86.2 p -159.19 159.94 34.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -133.32 138.92 46.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.81 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.25 152.6 44.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.363 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m 49.25 38.11 12.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.493 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.69 134.26 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.658 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -177.02 37.9 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -136.0 -35.1 0.78 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.881 0.372 . . . . 0.0 110.377 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -128.39 148.14 50.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.456 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.86 55.87 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.527 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.6 113.11 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -119.81 132.07 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.24 -161.12 0.19 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -51.75 13.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.727 0.298 . . . . 0.0 111.08 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.6 -119.95 4.6 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.6 110.45 18.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.322 . . . . 0.0 110.519 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.74 160.43 40.73 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.938 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.5 122.85 42.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 71' ' ' THR . . . . . 0.523 HG22 ' CD ' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -79.67 170.36 16.27 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.819 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' F' F ' 72' ' ' PRO . . . . . 0.523 ' CD ' HG22 ' F' ' 71' ' ' THR . 52.6 Cg_exo -53.48 104.18 0.1 Allowed 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.491 2.127 . . . . 0.0 113.294 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.86 113.68 5.11 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.237 0.335 . . . . 0.0 110.114 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.59 -85.94 0.39 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.51 108.08 15.99 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.86 -85.58 0.03 OUTLIER Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.77 174.18 14.29 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.498 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 78' ' ' THR . . . . . 0.439 HG22 ' OG1' ' E' ' 78' ' ' THR . 81.4 p -136.46 167.56 21.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.451 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.73 -134.71 1.82 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.05 -93.59 2.22 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -48.95 164.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 82' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' F' ' 83' ' ' SER . . . 79.58 60.66 2.44 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 83' ' ' SER . . . . . 0.426 ' C ' ' O ' ' F' ' 82' ' ' GLY . 68.9 m -23.49 126.28 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.54 0.788 . . . . 0.0 112.097 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 84' ' ' SER . . . . . 0.405 ' CB ' HG21 ' F' ' 78' ' ' THR . 60.7 p -103.07 107.53 18.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.153 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.33 102.93 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.952 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 63.6 m -140.23 157.02 46.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.03 0.443 . . . . 0.0 111.292 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.79 134.89 34.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.996 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.48 -176.2 5.64 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.027 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 89.4 p -169.03 160.41 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.568 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 38.3 t -163.83 144.26 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.292 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.24 74.98 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.976 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 52.92 0.08 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.31 112.06 24.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.87 120.61 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.527 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.48 131.71 41.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 61.7 m 56.27 49.55 15.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.509 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.581 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.817 0.341 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -140.89 143.72 34.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.602 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -144.57 142.99 30.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.837 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -146.45 146.28 30.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.256 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.01 -52.76 1.97 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.179 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -134.28 129.89 36.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.613 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 109.14 78.97 1.08 Allowed Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.945 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' G' ' 49' ' ' GLY . 9.4 m-85 28.39 70.68 0.06 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.9 95.15 0.47 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.25 94.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -159.2 159.98 34.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.232 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 58.6 m -133.38 138.97 46.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.79 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.818 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.26 152.56 44.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m 49.21 38.2 12.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.518 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.71 134.22 55.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.72 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.08 -176.96 37.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.94 -35.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.916 0.388 . . . . 0.0 110.345 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 62.7 m -128.39 148.1 50.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.463 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.8 55.86 8.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.48 113.08 24.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.695 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -119.82 131.97 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.21 -161.18 0.19 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.09 -51.75 13.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.727 0.298 . . . . 0.0 111.027 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.54 -119.91 4.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.64 110.41 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.73 160.5 40.61 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.92 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.47 122.86 42.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.536 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 71' ' ' THR . . . . . 0.521 HG22 ' CD ' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -79.72 170.27 16.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.904 179.764 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' G' G ' 72' ' ' PRO . . . . . 0.521 ' CD ' HG22 ' G' ' 71' ' ' THR . 52.8 Cg_exo -53.41 104.1 0.1 OUTLIER 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.449 2.099 . . . . 0.0 113.35 -178.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -66.9 113.8 5.23 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.281 0.363 . . . . 0.0 110.08 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.64 -85.73 0.39 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.06 108.21 15.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.72 -85.71 0.03 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.74 174.26 14.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.521 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 78' ' ' THR . . . . . 0.44 ' OG1' HG22 ' H' ' 78' ' ' THR . 81.7 p -136.5 167.62 21.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.438 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.7 -134.82 1.83 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.01 -93.54 2.21 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.0 164.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 82' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' G' ' 83' ' ' SER . . . 79.74 60.57 2.43 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -179.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 83' ' ' SER . . . . . 0.428 ' C ' ' O ' ' G' ' 82' ' ' GLY . 68.2 m -23.36 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.473 0.749 . . . . 0.0 112.102 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 84' ' ' SER . . . . . 0.405 ' CB ' HG21 ' G' ' 78' ' ' THR . 59.9 p -103.25 107.57 18.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.079 -178.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.32 102.97 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.931 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 64.4 m -140.21 156.95 46.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.942 0.401 . . . . 0.0 111.263 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.75 134.84 34.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.069 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.45 -176.2 5.64 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.136 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -169.04 160.45 9.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.592 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 37.7 t -163.92 144.21 8.37 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.216 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.21 75.08 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.974 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.52 53.0 0.08 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.36 112.13 24.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 110.78 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.9 120.57 30.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.511 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.42 131.77 42.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.424 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 62.0 m 56.25 49.49 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.563 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.793 0.33 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -140.91 143.71 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.51 142.9 30.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.819 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -146.41 146.28 30.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.307 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.13 -52.67 1.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.32 129.9 36.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.661 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 109.21 78.92 1.07 Allowed Glycine 0 CA--C 1.524 0.632 0 C-N-CA 120.373 -0.918 . . . . 0.0 111.939 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' H' ' 49' ' ' GLY . 9.5 m-85 28.3 70.71 0.06 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.93 95.24 0.47 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.22 94.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.93 0.395 . . . . 0.0 110.395 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 86.4 p -159.21 159.98 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.262 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -133.33 138.94 46.58 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.797 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.76 29.65 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.83 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.27 152.52 44.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.443 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m 49.21 38.26 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.541 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.8 134.27 56.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -177.02 37.89 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.96 -35.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.401 . . . . 0.0 110.384 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 62.8 m -128.43 148.16 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.405 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.83 55.8 8.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.51 113.08 24.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -119.84 132.04 55.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.595 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.24 -161.11 0.19 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.1 -51.76 13.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.792 0.33 . . . . 0.0 111.043 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.49 -119.97 4.61 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -116.64 110.3 18.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.71 160.48 40.63 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.41 122.89 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.521 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 71' ' ' THR . . . . . 0.52 HG22 ' CD ' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -79.77 170.22 16.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.876 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' H' H ' 72' ' ' PRO . . . . . 0.52 ' CD ' HG22 ' H' ' 71' ' ' THR . 53.0 Cg_exo -53.44 104.19 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.477 2.118 . . . . 0.0 113.218 -178.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -66.93 113.75 5.2 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.264 0.353 . . . . 0.0 110.14 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.68 -85.83 0.39 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.9 108.27 16.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.87 0.366 . . . . 0.0 110.78 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.95 -85.44 0.03 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 88.5 p -160.87 174.24 14.15 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.461 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 78' ' ' THR . . . . . 0.44 HG22 ' OG1' ' G' ' 78' ' ' THR . 81.6 p -136.49 167.6 21.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.436 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.71 -134.75 1.82 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.02 -93.66 2.22 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.06 164.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 82' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' H' ' 83' ' ' SER . . . 79.8 60.49 2.44 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 83' ' ' SER . . . . . 0.427 ' C ' ' O ' ' H' ' 82' ' ' GLY . 68.7 m -23.43 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 O-C-N 124.509 0.77 . . . . 0.0 112.074 -179.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 84' ' ' SER . . . . . 0.405 ' CB ' HG21 ' H' ' 78' ' ' THR . 60.0 p -103.16 107.53 18.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.079 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -117.28 102.99 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.0 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 63.3 m -140.25 157.0 46.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.013 0.435 . . . . 0.0 111.23 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 42.7 t -138.83 134.79 33.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.054 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.46 -176.29 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.076 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -168.94 160.43 10.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.576 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 38.2 t -163.89 144.26 8.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.306 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -146.29 75.19 1.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.015 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.37 52.97 0.08 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.27 112.03 24.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.297 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.84 120.63 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.515 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.47 131.76 42.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 61.3 m 56.19 49.55 15.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.552 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.546 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.767 0.318 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -140.97 143.51 34.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.598 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 8.9 t -144.49 142.7 30.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -146.48 145.39 30.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.376 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -121.43 -53.04 2.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 42.1 t -133.99 130.16 37.21 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.614 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 49' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 109.18 78.92 1.08 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.87 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 50' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' I' ' 49' ' ' GLY . 9.3 m-85 28.14 72.18 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.16 95.24 0.57 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.27 94.07 0.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.52 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -158.75 160.12 35.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 59.2 m -133.42 138.96 46.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.773 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 48.77 29.6 2.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.827 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.24 152.62 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.371 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.18 38.19 12.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -62.66 134.28 56.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.26 -176.94 37.92 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.96 -35.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.373 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 63.3 m -128.4 148.16 50.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.43 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 52.8 55.83 8.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.591 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.55 113.12 24.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 95.8 m -119.73 132.13 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.37 -161.04 0.2 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.27 -51.56 14.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.569 0.223 . . . . 0.0 110.982 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.39 -120.14 4.68 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 16.5 p -116.45 110.43 18.62 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.492 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.87 160.48 40.71 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.767 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.4 123.33 43.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.453 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 71' ' ' THR . . . . . 0.527 HG22 ' HD2' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -80.1 170.22 16.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.713 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' I' I ' 72' ' ' PRO . . . . . 0.527 ' HD2' HG22 ' I' ' 71' ' ' THR . 53.2 Cg_exo -53.58 104.32 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.57 2.18 . . . . 0.0 112.976 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -66.96 114.29 5.65 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.48 -85.87 0.39 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -115.7 108.54 16.5 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.77 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.85 -85.15 0.03 OUTLIER Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 89.4 p -160.96 174.22 14.12 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.052 0.453 . . . . 0.0 111.496 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 78' ' ' THR . . . . . 0.438 HG22 ' OG1' ' H' ' 78' ' ' THR . 82.4 p -136.2 168.35 19.56 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.48 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.18 -134.27 1.9 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.38 -92.85 2.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -49.91 164.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' I' ' 83' ' ' SER . . . 79.92 60.61 2.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 83' ' ' SER . . . . . 0.422 ' C ' ' O ' ' I' ' 82' ' ' GLY . 69.2 m -23.34 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.531 0.783 . . . . 0.0 112.121 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 84' ' ' SER . . . . . 0.41 ' CB ' HG21 ' I' ' 78' ' ' THR . 59.9 p -103.04 107.47 18.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.124 -178.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.24 102.85 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.05 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 63.8 m -140.21 156.91 46.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.976 0.417 . . . . 0.0 111.275 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.67 134.83 34.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.046 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.62 -176.93 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.041 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 89.6 p -168.29 160.56 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 38.5 t -163.89 144.61 8.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.957 0.408 . . . . 0.0 111.302 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -146.71 76.36 1.43 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.55 52.98 0.07 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -97.25 111.9 23.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.813 0.34 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.88 120.59 30.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.39 131.75 42.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.407 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 61.4 m 56.22 49.54 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.51 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.602 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.767 0.318 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.0 p -78.61 160.63 27.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.051 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 t -144.35 138.98 28.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.657 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -150.71 129.04 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.274 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.12 -52.57 7.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.973 0.416 . . . . 0.0 111.467 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.3 t -132.1 -160.3 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.117 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.94 51.96 31.33 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.456 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 54.74 -175.38 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.88 -59.95 0.81 Allowed Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.148 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.63 -70.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.659 0.266 . . . . 0.0 111.157 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.0 t -109.67 147.71 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.748 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.44 134.25 32.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.662 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.74 152.98 43.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.44 -167.25 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.627 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.35 153.67 28.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -74.29 -33.54 63.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.414 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.1 -169.6 42.39 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.36 135.11 52.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.682 0.277 . . . . 0.0 110.425 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -161.9 -169.56 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.934 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.13 115.3 19.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.368 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -94.28 101.98 13.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.64 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.8 m -121.94 130.44 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.19 -159.44 0.06 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.85 43.16 0.48 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.84 -112.29 0.56 Allowed Glycine 0 C--N 1.338 0.687 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.5 p -130.69 123.81 30.17 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -147.73 168.27 22.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.36 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -133.76 116.18 15.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.87 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.91 162.69 48.98 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -27.83 104.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.14 0 C-N-CA 124.394 3.396 . . . . 0.0 114.814 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -61.45 111.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.535 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.58 105.5 0.37 Allowed Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.6 t80 69.86 92.67 0.08 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.172 0.511 . . . . 0.0 111.318 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.79 -94.17 0.36 Allowed Glycine 0 CA--C 1.526 0.749 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.404 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.8 155.18 18.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 111.018 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.425 HG21 ' OH ' ' B' ' 75' ' ' TYR . 11.9 m -119.93 108.6 14.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.444 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.57 113.33 2.17 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.0 92.73 0.36 Allowed Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -58.86 -166.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.66 0.267 . . . . 0.0 110.585 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.54 -46.8 2.56 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.22 127.49 0.02 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.811 0.338 . . . . 0.0 110.647 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.7 m -148.79 97.87 2.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.114 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.96 120.57 31.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.697 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.5 t -138.69 154.06 48.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.001 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.1 p -138.57 146.32 41.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.099 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -174.27 -172.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.005 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.5 t -172.41 160.64 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.63 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.6 t -163.01 143.82 9.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.973 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -145.95 79.72 1.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.024 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 164.29 55.41 0.02 OUTLIER Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -97.99 116.77 30.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.758 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.57 132.78 42.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.736 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.84 125.44 25.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.665 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.3 m 51.93 34.42 13.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.613 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.794 0.33 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 96.5 p -78.86 160.65 27.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 12.9 t -144.33 139.13 28.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.681 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -150.92 129.02 11.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.586 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.31 -52.77 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.376 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.79 -159.77 0.99 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.109 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.35 53.48 25.1 Favored Glycine 0 C--O 1.223 -0.586 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.25 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.13 -175.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.133 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.78 -60.02 0.81 Allowed Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.061 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -151.64 -70.89 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 111.109 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -109.48 147.66 32.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.7 t -139.41 134.26 32.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.619 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.8 153.04 43.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.49 -167.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.608 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.5 p -80.41 153.61 28.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -74.33 -33.52 63.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.414 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.01 -169.58 42.51 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.46 135.21 52.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 91.6 p -161.78 -169.02 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.03 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.68 115.32 19.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.251 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.38 102.01 13.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -121.79 130.8 53.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.59 -159.35 0.07 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.86 44.09 0.53 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.21 -112.17 0.48 Allowed Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 71.4 p -130.66 123.66 29.88 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.58 168.75 21.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.136 0.493 . . . . 0.0 111.259 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 40.5 t -134.05 116.09 15.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.823 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.1 162.55 48.9 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -27.6 102.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.194 0 C-N-CA 124.713 3.609 . . . . 0.0 115.1 -178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -59.18 111.97 1.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.931 0.396 . . . . 0.0 110.02 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.23 106.07 0.33 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.425 ' OH ' HG21 ' A' ' 78' ' ' THR . 1.6 t80 69.81 92.66 0.08 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.914 0.388 . . . . 0.0 111.219 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.66 -94.19 0.35 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 85.6 p -91.6 155.23 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 111.094 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.424 HG21 ' OH ' ' C' ' 75' ' ' TYR . 12.2 m -119.65 108.48 14.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.5 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.39 113.24 2.16 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.21 92.7 0.35 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -58.99 -166.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.742 0.306 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.78 -46.6 2.51 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.1 127.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.801 0.334 . . . . 0.0 110.671 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.79 97.82 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.105 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -125.01 120.16 30.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.347 . . . . 0.0 110.695 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 27.2 t -138.13 154.17 49.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.54 146.22 41.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.169 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.15 -172.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.089 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.4 160.54 4.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.592 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 30.5 t -162.97 143.81 9.57 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.216 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -146.04 80.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.966 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.42 55.52 0.02 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.93 116.63 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.59 132.87 42.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.734 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.9 125.4 25.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.689 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m 51.9 34.44 13.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.53 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.838 0.351 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 96.3 p -78.91 160.63 27.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 12.9 t -144.26 139.08 28.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.687 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.9 129.0 11.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.581 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.28 -52.62 7.12 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.518 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.91 -159.77 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.105 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.21 53.53 25.41 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.27 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.17 -176.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.162 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.62 -59.97 0.82 Allowed Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.074 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -151.69 -70.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.154 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -109.51 147.71 32.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.46 134.26 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.641 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -124.76 152.95 43.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.48 -167.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.626 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 88.0 p -80.42 153.66 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -74.28 -33.61 63.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.468 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.08 -169.59 42.41 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.4 135.22 52.84 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.395 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -161.76 -169.0 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.69 115.28 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.335 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.46 102.1 14.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.589 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 96.2 m -121.72 130.88 53.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.49 -159.25 0.07 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.96 44.08 0.54 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.15 -112.15 0.48 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 69.4 p -130.75 123.63 29.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.5 168.81 20.96 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.321 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.08 116.16 15.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.811 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.07 162.47 49.23 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.334 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_exo -27.46 102.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.231 0 C-N-CA 124.621 3.547 . . . . 0.0 115.191 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -58.81 112.07 1.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.313 0.383 . . . . 0.0 109.987 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.04 106.11 0.32 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 75' ' ' TYR . . . . . 0.424 ' OH ' HG21 ' B' ' 78' ' ' THR . 1.7 t80 69.76 92.74 0.08 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.989 0.423 . . . . 0.0 111.208 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.67 -94.11 0.35 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.66 155.24 18.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 0.0 110.966 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.423 HG21 ' OH ' ' D' ' 75' ' ' TYR . 12.6 m -119.67 108.55 14.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.431 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.37 113.38 2.2 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.09 92.68 0.36 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -59.0 -167.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.801 0.334 . . . . 0.0 110.482 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 -46.73 2.47 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.16 127.56 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.885 0.374 . . . . 0.0 110.641 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.82 97.82 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.112 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.97 120.11 30.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.716 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -138.1 154.12 49.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.047 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 90.7 p -138.48 146.22 41.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.169 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.18 -172.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.096 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 46.3 t -172.33 160.47 4.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.652 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.86 143.84 9.77 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.178 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.1 81.04 1.58 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.976 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.33 55.52 0.02 OUTLIER Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -98.01 116.61 30.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.705 0.288 . . . . 0.0 110.773 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.47 132.9 43.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.705 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.95 125.38 25.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.691 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m 51.9 34.47 13.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.703 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.562 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.782 0.325 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 96.3 p -78.94 160.76 27.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.41 139.03 28.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.764 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.86 128.95 11.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.27 -52.8 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.328 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.73 -159.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.208 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.28 53.38 25.91 Favored Glycine 0 C--O 1.224 -0.488 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.269 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.12 -176.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.211 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.48 -60.16 0.82 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.079 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -151.57 -70.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.685 0.279 . . . . 0.0 111.165 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -109.53 147.66 32.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.808 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.46 134.22 32.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.623 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.81 153.0 43.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.407 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.56 -167.0 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.666 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.51 153.68 28.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -74.3 -33.55 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.443 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.99 -169.64 42.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.38 135.23 52.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.686 0.279 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 92.4 p -161.83 -169.01 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.942 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.73 115.32 19.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.232 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.5 102.11 14.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.62 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.78 130.84 53.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -159.31 0.07 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.97 44.3 0.55 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.04 -112.04 0.45 Allowed Glycine 0 C--N 1.338 0.646 0 N-CA-C 111.617 -0.593 . . . . 0.0 111.617 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 69.1 p -130.83 123.63 29.51 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.57 168.78 21.1 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.358 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.01 116.11 15.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.817 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.11 162.45 49.2 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.413 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -27.46 102.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.229 0 C-N-CA 124.658 3.572 . . . . 0.0 115.219 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -58.82 112.01 1.49 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.07 106.04 0.32 Allowed Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 75' ' ' TYR . . . . . 0.423 ' OH ' HG21 ' C' ' 78' ' ' THR . 1.7 t80 69.89 92.65 0.08 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.861 0.362 . . . . 0.0 111.233 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.65 -94.28 0.35 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 86.0 p -91.49 155.21 18.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 0.0 110.999 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 78' ' ' THR . . . . . 0.424 HG21 ' OH ' ' E' ' 75' ' ' TYR . 12.2 m -119.57 108.49 14.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.585 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.38 113.33 2.19 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.14 92.67 0.36 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -58.9 -167.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.56 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.94 -46.73 2.47 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.14 127.54 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.898 0.38 . . . . 0.0 110.63 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.72 97.84 2.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.069 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.97 120.19 30.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.711 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 27.0 t -138.17 154.1 49.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 90.5 p -138.4 146.25 41.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.134 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.19 -172.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.079 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.39 160.63 4.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.651 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t -162.96 143.86 9.62 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.21 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.11 81.18 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.984 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.23 55.54 0.02 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.93 116.55 30.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.691 0.281 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -132.52 132.87 43.09 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.671 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.91 125.37 25.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.662 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m 51.93 34.48 13.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.698 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.504 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.806 0.336 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 95.5 p -78.87 160.52 27.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 13.1 t -144.31 138.61 28.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.741 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -150.13 129.81 13.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 47' ' ' THR . . . . . 0.415 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -84.61 -49.41 8.58 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.785 -178.754 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' E' E ' 48' ' ' SER . . . . . 0.415 ' N ' HG22 ' E' ' 47' ' ' THR . 10.3 t -130.77 -159.17 0.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.718 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.55 48.28 44.63 Favored Glycine 0 C--O 1.219 -0.835 0 C-N-CA 118.848 -1.644 . . . . 0.0 111.876 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 55.4 -175.61 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.572 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.06 -57.47 0.81 Allowed Glycine 0 CA--C 1.519 0.322 0 C-N-CA 119.724 -1.226 . . . . 0.0 111.261 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -152.23 -74.15 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -108.54 147.21 32.08 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.859 0.725 . . . . 0.0 110.144 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.03 134.52 33.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.799 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.7 153.11 42.84 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.65 0.594 . . . . 0.0 110.482 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.6 -167.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.585 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 87.9 p -80.43 153.63 28.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.25 -33.58 63.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.466 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.01 -169.57 42.51 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.39 135.27 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.695 0.284 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 93.3 p -161.89 -169.04 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.938 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.63 115.12 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.358 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -94.31 101.81 13.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.733 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -121.5 130.58 53.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.646 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.14 -161.82 0.07 OUTLIER Glycine 0 CA--C 1.525 0.673 0 O-C-N 124.217 0.948 . . . . 0.0 111.322 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.32 45.31 0.55 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.426 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.0 -112.27 0.48 Allowed Glycine 0 N--CA 1.47 0.901 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 71.2 p -131.05 123.12 28.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.147 0.499 . . . . 0.0 109.929 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.52 168.61 21.5 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.115 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 40.0 t -134.21 117.06 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.564 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.27 162.93 47.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.245 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 72' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' F' ' 73' ' ' GLN . 92.8 Cg_exo -31.93 107.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.588 2.859 . . . . 0.0 114.104 -176.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -61.75 114.09 3.12 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.254 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.47 104.81 0.29 Allowed Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 75' ' ' TYR . . . . . 0.424 ' OH ' HG21 ' D' ' 78' ' ' THR . 1.6 t80 71.94 90.24 0.09 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.607 178.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.47 -92.16 0.38 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 120.594 -0.813 . . . . 0.0 111.934 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 85.3 p -92.53 154.78 18.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 111.035 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 78' ' ' THR . . . . . 0.42 HG21 ' OH ' ' F' ' 75' ' ' TYR . 11.6 m -119.24 107.62 13.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.782 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.88 113.27 2.23 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.11 92.0 0.34 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -58.67 -165.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.59 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.12 -44.42 2.82 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 169.71 127.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.282 0.563 . . . . 0.0 110.44 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 69.4 m -148.9 96.6 2.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.351 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.36 119.18 28.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.749 0.309 . . . . 0.0 110.68 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 26.7 t -137.9 154.07 49.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.41 146.18 41.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.148 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.37 -173.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.065 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -170.27 161.37 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.591 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -162.8 144.07 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.417 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -145.88 80.94 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.987 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.3 55.45 0.02 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -96.39 116.35 28.9 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.948 -0.148 . . . . 0.0 111.161 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.49 132.93 43.2 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.242 0.339 . . . . 0.0 110.75 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.55 125.39 25.64 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.507 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 72.8 m 51.9 34.55 13.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.494 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.742 0.306 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 96.0 p -78.93 160.61 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.3 139.07 28.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.702 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.83 129.11 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.637 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.44 -52.74 6.94 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.348 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.81 -159.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.15 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.22 53.6 25.0 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.255 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.08 -175.82 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.079 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.59 -60.21 0.82 Allowed Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.59 -70.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.717 0.294 . . . . 0.0 111.118 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 46.6 t -109.42 147.68 32.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.49 134.36 32.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.546 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.92 153.01 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.53 -167.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.578 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 88.4 p -80.48 153.6 28.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -74.29 -33.5 63.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.406 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.06 -169.57 42.44 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.43 135.29 52.92 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.433 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 90.9 p -161.8 -168.94 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.006 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.8 115.24 19.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.335 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.45 102.02 13.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.68 130.86 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -159.22 0.07 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.01 44.32 0.56 Allowed 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.96 -112.09 0.45 Allowed Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 69.2 p -130.82 123.7 29.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.59 168.83 20.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.31 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.03 116.12 15.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.846 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.04 162.52 49.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.348 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -27.52 102.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.223 0 C-N-CA 124.642 3.561 . . . . 0.0 115.193 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 73' ' ' GLN . . . . . 0.423 ' HA ' ' HA ' ' E' ' 72' ' ' PRO . 87.7 mm-40 -58.84 112.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.911 0.386 . . . . 0.0 110.008 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.88 106.13 0.31 Allowed Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 75' ' ' TYR . . . . . 0.42 ' OH ' HG21 ' E' ' 78' ' ' THR . 1.6 t80 69.76 92.75 0.08 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.991 0.424 . . . . 0.0 111.285 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.76 -94.07 0.36 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 85.8 p -91.64 155.22 18.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.773 0.321 . . . . 0.0 111.041 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 78' ' ' THR . . . . . 0.421 HG21 ' OH ' ' G' ' 75' ' ' TYR . 12.4 m -119.62 108.49 14.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.35 113.35 2.2 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.08 92.83 0.36 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -58.99 -167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.773 0.321 . . . . 0.0 110.493 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.85 -46.63 2.49 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.12 127.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.809 0.338 . . . . 0.0 110.707 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 68.1 m -148.72 97.76 2.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.103 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.9 120.25 31.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.758 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 26.9 t -138.2 154.14 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.001 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.44 146.21 41.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.211 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.16 -172.88 0.74 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.056 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.35 160.49 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.59 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t -162.89 143.86 9.73 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.149 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.13 81.12 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.978 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.19 55.6 0.02 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.87 116.55 30.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.697 0.285 . . . . 0.0 110.922 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.55 132.87 43.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.676 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.89 125.44 25.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.635 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m 51.93 34.34 13.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.752 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.525 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.81 0.338 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 95.3 p -78.84 160.58 27.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.26 139.01 28.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.758 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.82 129.04 11.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.582 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.32 -52.77 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.374 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.79 -159.67 0.98 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.138 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.19 53.55 25.35 Favored Glycine 0 C--O 1.223 -0.549 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.259 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.13 -175.93 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.184 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.54 -60.11 0.82 Allowed Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.166 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.6 -70.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.699 0.285 . . . . 0.0 111.165 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 46.5 t -109.52 147.61 32.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -139.32 134.28 32.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.654 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.85 153.01 43.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.58 -167.04 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.42 153.63 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.18 -33.67 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.474 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.98 -169.52 42.52 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.53 135.23 52.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.713 0.292 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 91.6 p -161.77 -169.02 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.942 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.66 115.31 19.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.276 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.45 102.04 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.671 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.61 130.78 53.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.56 -159.19 0.07 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.0 44.33 0.55 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.02 -112.14 0.46 Allowed Glycine 0 C--N 1.337 0.638 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 69.6 p -130.72 123.65 29.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.56 168.86 20.88 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.281 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -134.1 116.12 15.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.736 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.16 162.54 48.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.285 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -27.46 102.44 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.255 0 C-N-CA 124.745 3.63 . . . . 0.0 115.079 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -58.81 112.08 1.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.904 0.383 . . . . 0.0 109.986 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.06 106.11 0.32 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 75' ' ' TYR . . . . . 0.421 ' OH ' HG21 ' F' ' 78' ' ' THR . 1.6 t80 69.74 92.69 0.08 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 111.275 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.73 -94.17 0.36 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.58 155.34 18.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.967 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 78' ' ' THR . . . . . 0.422 HG21 ' OH ' ' H' ' 75' ' ' TYR . 12.7 m -119.76 108.5 14.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.485 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.38 113.36 2.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.11 92.68 0.36 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -58.92 -167.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.76 0.314 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 -46.61 2.47 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.12 127.5 0.02 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.834 0.349 . . . . 0.0 110.562 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.76 97.85 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.099 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.94 120.16 30.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.756 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 26.9 t -138.14 154.13 49.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.46 146.24 41.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.181 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.19 -172.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.029 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.34 160.56 5.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.624 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.91 143.84 9.69 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.186 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.14 81.25 1.59 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.964 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.19 55.53 0.02 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.95 116.63 30.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.72 0.295 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.53 132.84 43.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.705 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.95 125.52 25.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.623 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 72.5 m 51.82 34.39 13.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.736 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.561 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.836 0.35 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 95.2 p -78.87 160.65 27.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.35 139.05 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.663 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.84 129.08 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.581 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.35 -52.74 6.96 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.4 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.85 -159.81 1.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.062 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.4 53.47 24.96 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.248 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.03 -175.84 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.186 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.6 -60.04 0.82 Allowed Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.082 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -151.58 -70.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.752 0.31 . . . . 0.0 111.168 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 46.5 t -109.44 147.6 32.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.44 134.18 31.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.659 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.74 152.94 43.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.454 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.48 -167.09 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.673 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 88.8 p -80.46 153.65 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.27 -33.53 63.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.467 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.07 -169.53 42.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.45 135.3 52.89 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.388 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 92.5 p -161.81 -168.89 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.001 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.81 115.29 19.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.26 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.5 102.01 13.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.8 m -121.71 130.92 53.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.65 -159.16 0.07 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.04 44.44 0.56 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.571 0.212 . . . . 0.0 111.571 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.9 -112.22 0.46 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 69.5 p -130.69 123.53 29.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.44 168.92 20.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.09 0.471 . . . . 0.0 111.282 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -134.19 116.03 14.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.844 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.06 162.44 49.38 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.296 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -27.57 102.55 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.216 0 C-N-CA 124.645 3.563 . . . . 0.0 115.11 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -58.87 112.1 1.53 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.332 0.395 . . . . 0.0 110.011 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.16 106.04 0.33 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 75' ' ' TYR . . . . . 0.422 ' OH ' HG21 ' G' ' 78' ' ' THR . 1.7 t80 69.85 92.68 0.08 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.892 0.377 . . . . 0.0 111.188 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.74 -94.08 0.36 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 85.7 p -91.5 155.22 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 111.056 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 78' ' ' THR . . . . . 0.417 HG21 ' OH ' ' I' ' 75' ' ' TYR . 12.4 m -119.63 108.54 14.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.35 113.37 2.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.1 92.73 0.36 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -59.02 -167.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.532 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.87 -46.5 2.49 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.07 127.55 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.803 0.335 . . . . 0.0 110.639 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 68.3 m -148.72 97.79 2.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.152 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.94 120.18 30.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.726 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 27.0 t -138.2 154.11 49.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 90.5 p -138.45 146.24 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.154 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.15 -172.93 0.75 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.004 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -172.23 160.63 5.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.621 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.91 143.84 9.7 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.202 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.07 81.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.934 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.1 55.58 0.02 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.91 116.64 30.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.742 0.306 . . . . 0.0 110.8 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.58 132.87 43.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.732 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.88 125.42 25.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.636 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 72.8 m 51.85 34.38 13.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.502 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.709 0.29 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 95.0 p -78.84 160.79 27.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.064 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -144.56 138.98 27.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.757 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -150.68 130.19 13.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.547 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -82.78 -52.82 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.065 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 10.9 t -131.82 -159.62 0.98 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.25 53.5 25.4 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.331 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.12 -175.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.057 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.74 -60.08 0.81 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.67 -70.98 0.16 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.707 0.289 . . . . 0.0 111.119 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -109.6 147.11 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.852 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -138.89 134.24 32.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.725 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.77 153.02 43.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.439 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.46 -167.35 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.628 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 89.7 p -80.19 153.7 28.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -74.39 -33.46 63.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.451 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.15 -169.54 42.29 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.47 135.46 53.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.723 0.297 . . . . 0.0 110.281 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 90.0 p -162.04 -169.13 2.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.952 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.68 115.22 19.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.359 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.47 101.97 13.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.685 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -121.29 131.12 54.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.86 -159.03 0.07 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -79.11 45.46 0.63 Allowed 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.873 -0.193 . . . . 0.0 111.394 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.1 -112.02 0.39 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 63.6 p -130.6 123.93 30.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.96 168.95 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.169 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 40.7 t -134.22 115.99 14.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.861 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.69 162.54 50.02 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -28.25 103.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 124.603 3.535 . . . . 0.0 114.74 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -59.05 112.55 1.72 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.857 0.36 . . . . 0.0 110.036 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.19 106.13 0.33 Allowed Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 75' ' ' TYR . . . . . 0.56 ' HE2' ' HG1' ' I' ' 78' ' ' THR . 1.7 t80 69.86 92.87 0.08 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.673 0.273 . . . . 0.0 111.037 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.75 -93.61 0.37 Allowed Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 85.8 p -91.69 155.41 18.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.832 0.348 . . . . 0.0 110.982 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 78' ' ' THR . . . . . 0.56 ' HG1' ' HE2' ' I' ' 75' ' ' TYR . 14.2 m -119.61 108.26 14.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.559 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.99 113.46 2.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.14 92.8 0.36 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -59.0 -167.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.943 0.402 . . . . 0.0 110.468 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.05 -46.32 2.45 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.04 127.63 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.855 0.359 . . . . 0.0 110.53 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -148.86 97.72 2.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.203 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.86 120.17 30.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.73 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -138.24 153.86 49.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 90.1 p -138.23 146.15 42.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.102 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.38 -173.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.962 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -171.26 160.76 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.729 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 30.5 t -162.83 144.04 9.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.848 0.356 . . . . 0.0 111.264 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -146.46 82.36 1.59 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.805 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 162.39 55.53 0.02 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.89 116.4 30.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.53 132.83 43.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.689 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.89 125.49 25.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 72.4 m 51.83 34.48 13.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.742 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.487 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.627 0.251 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -58.18 131.91 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.979 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.6 m -118.01 130.43 56.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.184 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -143.1 121.78 12.57 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.465 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 47' ' ' THR . 1.6 t -86.18 -39.09 17.0 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.975 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -133.64 175.09 9.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.943 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.12 70.12 1.22 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 30.99 71.85 0.07 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.069 0.511 . . . . 0.0 112.305 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.25 94.49 0.12 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.05 91.6 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.3 t -149.43 146.02 27.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.783 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -127.57 121.45 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.618 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -71.77 -29.45 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.29 -161.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -57.94 138.88 55.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.394 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.75 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.78 -179.13 52.79 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.81 95.27 9.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.3 154.95 37.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -50.07 126.2 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -135.25 102.58 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.9 p -100.63 146.26 27.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.1 0.476 . . . . 0.0 110.632 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.12 -160.49 0.55 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.73 -46.16 14.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.965 0.412 . . . . 0.0 110.941 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.82 -102.84 2.41 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.404 HG21 ' HB2' ' A' ' 96' ' ' SER . 24.6 p -112.81 116.63 30.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.144 0.497 . . . . 0.0 110.345 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -169.21 143.86 3.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.973 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.5 m -110.16 127.66 55.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.06 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.38 169.11 16.09 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -49.33 105.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.193 1.928 . . . . 0.0 113.024 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -67.22 112.64 4.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.932 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.04 116.14 0.23 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.44 ' HB3' ' NE2' ' A' ' 88' ' ' GLN . 5.0 t80 58.83 87.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.187 0.518 . . . . 0.0 110.88 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.22 88.37 0.77 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.22 125.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.42 ' O ' HG22 ' A' ' 78' ' ' THR . 1.0 OUTLIER -81.22 114.75 20.24 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.21 0.529 . . . . 0.0 109.747 178.787 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.25 -88.23 0.21 Allowed Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.58 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.18 134.26 10.01 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -81.19 -167.99 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.63 0.253 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.12 -46.07 1.24 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 171.24 131.54 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.732 0.301 . . . . 0.0 110.667 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.39 -71.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.997 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 48.69 70.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.102 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.1 t -135.81 133.2 37.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.879 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.0 m -121.6 151.21 40.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.377 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -175.38 -173.52 0.65 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.961 -179.455 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -167.53 160.56 13.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.749 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.7 t -163.82 131.19 3.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.94 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -145.15 92.97 2.32 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 157.62 40.93 0.02 OUTLIER Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.48 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -97.5 133.72 41.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.681 0.277 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.42 137.29 35.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.913 0.387 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.75 130.08 31.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.166 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.404 ' HB2' HG21 ' A' ' 68' ' ' THR . 47.9 t 58.14 51.43 8.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.492 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.496 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.742 0.306 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.8 m -58.43 131.87 52.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.993 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -117.85 130.66 56.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.215 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -143.33 121.81 12.43 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.403 ' H ' HG22 ' B' ' 47' ' ' THR . 1.7 t -86.49 -39.09 16.62 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.684 -0.407 . . . . 0.0 111.917 -179.337 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.53 175.48 9.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.952 0.406 . . . . 0.0 110.939 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.62 71.9 0.87 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.24 72.43 0.05 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.69 94.48 0.14 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.25 91.4 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 45.2 t -149.43 145.85 27.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.843 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.7 t -127.6 121.46 30.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.604 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.4 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.29 -161.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -57.98 138.94 55.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.378 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.74 152.81 28.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.82 -179.15 52.79 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.76 95.2 8.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.966 0.412 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 77.6 p -151.32 154.5 36.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.59 126.14 12.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.27 102.36 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.611 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.25 146.61 26.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.709 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.48 -160.4 0.63 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.85 -46.13 15.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.723 0.297 . . . . 0.0 110.748 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.89 -103.19 2.46 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.411 HG21 ' HB2' ' B' ' 96' ' ' SER . 24.8 p -112.29 116.63 30.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.813 0.339 . . . . 0.0 110.417 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.15 143.86 3.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.15 127.67 55.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.091 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.44 169.02 16.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.051 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -49.42 103.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.4 2.067 . . . . 0.0 113.31 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.99 112.82 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.638 0.586 . . . . 0.0 110.338 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.97 116.34 0.23 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.437 ' HB3' ' NE2' ' B' ' 88' ' ' GLN . 4.6 t80 58.72 87.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.737 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.29 88.62 0.78 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.43 124.11 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.426 ' O ' HG22 ' B' ' 78' ' ' THR . 1.0 OUTLIER -79.89 114.72 19.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.186 178.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.99 -88.26 0.2 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.08 134.4 9.73 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -81.36 -168.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.689 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.23 -45.79 1.27 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.18 131.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.736 0.303 . . . . 0.0 110.651 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 43.4 t -98.32 -71.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.073 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.71 70.66 0.44 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.034 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 13.8 t -135.79 133.2 37.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 66.1 m -121.56 151.03 40.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.337 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' GLN . . . . . 0.437 ' NE2' ' HB3' ' B' ' 75' ' ' TYR . 0.4 OUTLIER -175.28 -173.48 0.66 Allowed 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.09 -179.576 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 92.5 p -167.47 160.42 13.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.731 0.3 . . . . 0.0 110.747 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 45.8 t -163.77 131.22 3.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.16 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.14 94.29 2.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.77 41.08 0.02 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.55 133.6 41.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 0.0 110.471 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -139.47 137.22 35.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 130.12 31.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.198 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 96' ' ' SER . . . . . 0.411 ' HB2' HG21 ' B' ' 68' ' ' THR . 47.6 t 58.16 51.32 8.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.515 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.608 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.71 0.291 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -58.54 131.84 51.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 0.0 110.985 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 91.4 m -117.73 130.58 56.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.251 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -143.3 121.74 12.4 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' THR . . . . . 0.401 ' H ' HG22 ' C' ' 47' ' ' THR . 1.7 t -86.46 -39.16 16.58 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.912 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.48 175.49 9.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.995 0.426 . . . . 0.0 110.829 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.66 71.88 0.88 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.17 72.49 0.05 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.74 94.48 0.14 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 68.23 91.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 45.4 t -149.34 145.84 27.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -127.53 121.44 30.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.634 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.33 64.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.24 -161.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.431 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 69.0 m -57.98 138.96 55.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.395 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.77 28.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.671 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.89 -179.15 52.78 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.72 95.14 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.389 . . . . 0.0 110.804 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.34 154.41 36.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.42 126.12 12.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.745 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.3 102.38 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -100.16 146.54 26.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.755 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.41 -160.34 0.61 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -46.12 15.8 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.689 0.281 . . . . 0.0 110.754 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.92 -103.23 2.46 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.408 HG21 ' HB2' ' C' ' 96' ' ' SER . 25.0 p -112.36 116.61 30.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.745 0.307 . . . . 0.0 110.378 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -169.13 144.01 3.12 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -110.24 127.63 55.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.107 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.39 169.01 16.36 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.033 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.41 102.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.446 2.098 . . . . 0.0 113.304 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.7 112.73 3.35 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.641 0.588 . . . . 0.0 110.407 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.02 116.31 0.23 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 75' ' ' TYR . . . . . 0.437 ' HB3' ' NE2' ' C' ' 88' ' ' GLN . 4.5 t80 58.72 87.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.75 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.24 88.63 0.78 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.48 124.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.428 ' O ' HG22 ' C' ' 78' ' ' THR . 1.0 OUTLIER -79.89 114.77 19.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.393 . . . . 0.0 110.262 178.869 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.06 -88.25 0.2 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.08 134.33 9.76 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.421 -0.671 . . . . 0.0 111.421 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -81.24 -168.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.719 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.3 -45.79 1.27 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.15 131.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.747 0.308 . . . . 0.0 110.664 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.36 -71.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.051 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.91 70.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.992 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.71 133.09 37.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.83 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.51 151.03 40.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.388 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 88' ' ' GLN . . . . . 0.437 ' NE2' ' HB3' ' C' ' 75' ' ' TYR . 0.4 OUTLIER -175.24 -173.51 0.67 Allowed 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.103 -179.56 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -167.41 160.39 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.759 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 45.5 t -163.75 131.32 3.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.127 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.34 94.5 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.63 41.12 0.02 OUTLIER Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.53 133.56 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 0.0 110.46 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -139.48 137.22 35.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 130.2 31.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.199 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 96' ' ' SER . . . . . 0.408 ' HB2' HG21 ' C' ' 68' ' ' THR . 47.6 t 57.97 51.43 8.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.918 0.389 . . . . 0.0 110.554 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.599 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.658 0.266 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.5 131.9 52.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.853 0.358 . . . . 0.0 110.973 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -117.99 130.34 56.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.276 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.09 121.9 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.66 -39.06 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.965 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.53 175.52 9.35 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.918 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 49' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 67.65 71.85 0.88 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 50' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' D' ' 49' ' ' GLY . 13.1 m-85 29.24 72.72 0.05 Allowed 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.96 94.47 0.14 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 68.25 91.26 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.833 0.349 . . . . 0.0 110.087 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 45.7 t -149.37 145.9 27.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -127.51 121.46 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.648 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -71.73 -29.34 64.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.17 -161.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.412 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -57.79 138.93 55.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.392 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.86 152.78 28.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.601 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.91 -179.15 52.78 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.69 95.14 8.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 110.821 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.26 154.4 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.46 126.1 12.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.672 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.23 102.44 5.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.53 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 81.4 p -100.49 146.47 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.818 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.32 -160.31 0.58 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -45.69 16.26 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.721 0.296 . . . . 0.0 110.776 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.42 -103.01 2.47 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 68' ' ' THR . . . . . 0.409 HG21 ' HB2' ' D' ' 96' ' ' SER . 25.2 p -112.39 116.52 30.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.655 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.06 144.07 3.17 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.891 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -110.26 127.76 55.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.118 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.52 169.04 16.14 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -49.44 102.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.405 2.07 . . . . 0.0 113.355 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.68 112.64 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.668 0.605 . . . . 0.0 110.41 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.01 116.2 0.23 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 75' ' ' TYR . . . . . 0.436 ' HB3' ' NE2' ' D' ' 88' ' ' GLN . 4.6 t80 58.85 87.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.898 0.38 . . . . 0.0 110.816 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.21 88.62 0.79 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.77 124.1 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 78' ' ' THR . . . . . 0.428 ' O ' HG22 ' D' ' 78' ' ' THR . 1.0 OUTLIER -80.0 114.76 19.15 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.35 178.871 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.07 -88.3 0.2 Allowed Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.11 134.4 9.8 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.23 -168.03 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.765 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.19 -45.75 1.28 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.24 131.59 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.674 0.273 . . . . 0.0 110.656 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 43.3 t -98.27 -71.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.049 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 48.83 70.53 0.45 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.048 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.72 133.21 37.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.756 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.56 150.99 40.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 88' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' D' ' 75' ' ' TYR . 0.4 OUTLIER -175.23 -173.63 0.68 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.106 -179.51 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 92.5 p -167.32 160.4 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.74 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 45.8 t -163.78 131.2 3.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.115 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.32 94.65 2.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.57 41.2 0.02 OUTLIER Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.474 -0.651 . . . . 0.0 111.474 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.55 133.59 41.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.474 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.46 137.23 35.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.65 130.2 31.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.272 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 96' ' ' SER . . . . . 0.409 ' HB2' HG21 ' D' ' 68' ' ' THR . 47.8 t 57.99 51.4 8.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.591 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.531 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.676 0.274 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.41 131.9 52.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.927 0.394 . . . . 0.0 110.984 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 91.1 m -117.99 130.7 56.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.198 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 46' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' F' ' 46' ' ' ASP . 15.7 m-20 -143.6 122.57 12.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.106 0.955 . . . . 0.0 111.036 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -88.86 -38.94 14.19 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.076 -1.015 . . . . 0.0 111.34 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -130.86 175.53 8.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.811 0.339 . . . . 0.0 111.477 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 49' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 68.93 70.91 1.05 Allowed Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.222 177.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 50' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' E' ' 49' ' ' GLY . 14.0 m-85 26.65 76.88 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.087 0.555 . . . . 0.0 111.356 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.24 92.26 0.14 Allowed Glycine 0 CA--C 1.518 0.238 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 69.08 91.54 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.919 0.39 . . . . 0.0 110.007 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 45.5 t -149.44 145.91 27.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -127.35 121.82 32.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.489 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -71.96 -29.42 64.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.678 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.31 -161.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.387 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -58.04 138.93 55.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.84 152.73 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.703 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.84 -179.06 52.76 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.82 95.2 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 110.796 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -151.35 154.43 36.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.57 125.94 12.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.695 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -135.01 101.99 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.727 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -99.98 146.35 26.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.546 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.61 -161.99 0.59 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.56 -47.2 10.24 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.715 0.293 . . . . 0.0 110.62 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.52 -103.08 2.38 Favored Glycine 0 N--CA 1.464 0.54 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 68' ' ' THR . . . . . 0.407 HG21 ' HB2' ' E' ' 96' ' ' SER . 25.0 p -112.53 115.89 29.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.895 0.409 . . . . 0.0 110.409 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.3 144.63 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.801 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 73.6 m -110.62 128.46 55.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.972 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.92 168.68 17.14 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.117 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 72' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' F' ' 73' ' ' GLN . 61.0 Cg_exo -51.11 107.9 0.2 Allowed 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 121.059 1.173 . . . . 0.0 112.102 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -67.74 114.19 6.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.878 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.71 115.03 0.21 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 75' ' ' TYR . . . . . 0.439 ' HB3' ' NE2' ' E' ' 88' ' ' GLN . 4.6 t80 60.67 85.99 0.11 Allowed 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.787 179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -99.84 91.87 1.07 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.788 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 2.4 p 61.22 125.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.912 0.387 . . . . 0.0 111.898 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 78' ' ' THR . . . . . 0.431 ' O ' HG22 ' E' ' 78' ' ' THR . 1.0 OUTLIER -80.6 113.93 19.13 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.144 0.497 . . . . 0.0 109.915 178.785 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.99 -88.97 0.16 Allowed Glycine 0 CA--C 1.543 1.826 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.312 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -45.14 133.93 7.85 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -80.96 -167.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.69 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.9 -43.46 1.67 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 169.08 132.06 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.989 0.423 . . . . 0.0 110.346 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 43.0 t -98.48 -71.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.676 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 48.89 70.75 0.43 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.57 132.87 37.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.724 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.48 151.04 40.71 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.421 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 88' ' ' GLN . . . . . 0.439 ' NE2' ' HB3' ' E' ' 75' ' ' TYR . 0.4 OUTLIER -175.27 -173.64 0.67 Allowed 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 121.397 0.618 . . . . 0.0 111.049 -179.534 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -166.69 160.65 15.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.821 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 46.0 t -162.88 131.28 3.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.409 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -144.81 93.71 2.44 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.173 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.76 41.75 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.33 133.44 40.7 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.969 -0.136 . . . . 0.0 110.804 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.56 137.21 35.22 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.853 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.41 130.3 32.49 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.801 0.688 . . . . 0.0 110.005 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 96' ' ' SER . . . . . 0.407 ' HB2' HG21 ' E' ' 68' ' ' THR . 47.4 t 58.19 51.38 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.56 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.714 0.292 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.47 131.95 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.958 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -117.85 130.67 56.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.18 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 46' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' E' ' 46' ' ' ASP . 14.6 m-20 -143.4 121.89 12.44 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.43 -39.3 16.49 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.922 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.4 175.59 9.28 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.881 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.55 72.04 0.85 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 28.88 72.63 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.83 94.36 0.14 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.27 91.38 0.09 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.831 0.348 . . . . 0.0 110.063 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 45.6 t -149.45 145.83 27.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.846 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.9 t -127.54 121.42 30.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.658 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -71.77 -29.35 64.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.3 -161.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.44 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.0 m -57.85 138.88 55.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.416 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.8 152.72 28.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.652 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.85 -179.05 52.75 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.78 95.14 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.383 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 77.6 p -151.31 154.27 36.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.44 126.19 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.68 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.4 102.46 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 81.4 p -100.06 146.82 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.955 0.407 . . . . 0.0 110.497 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.63 -160.1 0.64 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.99 -46.41 16.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.68 0.276 . . . . 0.0 110.766 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.13 -103.3 2.45 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 68' ' ' THR . . . . . 0.407 HG21 ' HB2' ' F' ' 96' ' ' SER . 25.0 p -112.2 117.0 31.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 110.312 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.38 144.05 2.98 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.32 127.62 55.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.12 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.43 169.02 16.29 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.013 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.41 102.83 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.435 2.09 . . . . 0.0 113.351 -178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 73' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' E' ' 72' ' ' PRO . 7.4 mp0 -64.57 112.68 3.27 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.76 0.663 . . . . 0.0 110.491 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.9 116.54 0.23 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 75' ' ' TYR . . . . . 0.443 ' HB3' ' NE2' ' F' ' 88' ' ' GLN . 4.5 t80 58.9 87.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.769 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.22 88.68 0.79 Allowed Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.42 124.03 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 78' ' ' THR . . . . . 0.431 ' O ' HG22 ' F' ' 78' ' ' THR . 1.0 OUTLIER -79.94 114.84 19.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.977 0.418 . . . . 0.0 110.237 178.913 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.93 -88.25 0.2 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.07 134.33 9.74 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.27 -168.21 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.362 . . . . 0.0 110.679 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.38 -45.8 1.27 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.16 131.6 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.781 0.324 . . . . 0.0 110.637 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 43.4 t -98.27 -71.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.063 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.83 70.57 0.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.019 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.71 133.22 37.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.798 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -121.59 151.08 40.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 88' ' ' GLN . . . . . 0.443 ' NE2' ' HB3' ' F' ' 75' ' ' TYR . 0.4 OUTLIER -175.23 -173.57 0.67 Allowed 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.142 -179.484 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -167.49 160.38 13.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.745 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 45.2 t -163.81 131.27 3.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.15 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.08 94.77 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.016 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.39 41.1 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.45 133.44 42.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.678 0.275 . . . . 0.0 110.482 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.37 137.19 35.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.956 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.69 130.17 31.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.146 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 96' ' ' SER . . . . . 0.407 ' HB2' HG21 ' F' ' 68' ' ' THR . 47.7 t 58.06 51.41 8.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.449 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.581 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.63 0.252 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.32 131.91 52.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.055 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -117.88 130.61 56.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.183 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.39 121.84 12.41 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.6 -39.11 16.46 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.891 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.5 175.5 9.37 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.909 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.61 71.88 0.88 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.17 72.56 0.05 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.81 94.38 0.14 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 68.34 91.32 0.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 45.7 t -149.39 145.94 27.23 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.778 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.9 t -127.61 121.43 30.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -71.75 -29.38 64.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.3 -161.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.392 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.1 m -57.9 138.93 55.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.433 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.85 152.72 28.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.652 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.84 -179.02 52.74 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.86 95.19 8.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.793 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -151.35 154.32 36.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.43 126.14 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.675 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -135.3 102.47 5.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.485 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.25 146.64 26.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.665 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.55 -160.17 0.63 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.96 -46.07 16.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.719 0.295 . . . . 0.0 110.797 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.84 -103.23 2.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 68' ' ' THR . . . . . 0.408 HG21 ' HB2' ' G' ' 96' ' ' SER . 25.3 p -112.29 116.78 30.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 110.353 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.22 144.06 3.08 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 73.4 m -110.35 127.65 55.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.064 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 71' ' ' THR . . . . . 0.423 ' HA ' ' HG1' ' H' ' 71' ' ' THR . 0.0 OUTLIER -86.49 168.96 16.46 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.012 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.24 102.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.427 2.084 . . . . 0.0 113.311 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.69 112.77 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.649 0.593 . . . . 0.0 110.407 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.11 116.31 0.24 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 75' ' ' TYR . . . . . 0.436 ' HB3' ' NE2' ' G' ' 88' ' ' GLN . 4.5 t80 58.8 87.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.26 88.53 0.78 Allowed Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.7 123.97 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 78' ' ' THR . . . . . 0.433 ' O ' HG22 ' G' ' 78' ' ' THR . 1.0 OUTLIER -79.88 114.7 18.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.882 0.373 . . . . 0.0 110.225 178.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.92 -88.2 0.2 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.05 134.37 9.68 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -81.28 -168.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.684 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.32 -45.71 1.28 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.09 131.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.792 0.329 . . . . 0.0 110.613 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 43.1 t -98.42 -71.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.016 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 48.75 70.57 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.054 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.73 133.13 37.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.795 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 66.1 m -121.45 151.06 40.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 88' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' G' ' 75' ' ' TYR . 0.4 OUTLIER -175.27 -173.49 0.66 Allowed 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.013 -179.593 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -167.46 160.35 13.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.737 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 45.1 t -163.67 131.26 3.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.155 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.21 94.76 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.43 41.15 0.02 OUTLIER Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.53 133.6 41.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 110.436 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.48 137.23 35.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.65 130.11 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.301 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 96' ' ' SER . . . . . 0.408 ' HB2' HG21 ' G' ' 68' ' ' THR . 47.5 t 58.2 51.28 8.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.538 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.529 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.701 0.286 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.41 131.87 51.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 111.011 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -117.89 130.6 56.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.258 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.29 121.96 12.57 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.67 -39.16 16.32 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.855 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.52 175.42 9.44 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.907 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.73 71.9 0.87 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 29.07 72.54 0.05 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.67 94.41 0.13 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 68.19 91.29 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.862 0.363 . . . . 0.0 110.036 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 45.8 t -149.25 145.93 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.821 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -127.62 121.38 30.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.639 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.36 64.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 10.0 t 51.29 -161.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.385 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -57.97 138.99 55.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.82 152.8 28.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.626 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.98 -179.0 52.71 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.84 95.15 8.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.974 0.416 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 77.8 p -151.29 154.35 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.46 126.1 12.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.688 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.24 102.35 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.602 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.13 146.72 26.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.732 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.65 -160.21 0.66 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -46.09 15.75 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.67 0.271 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.89 -103.32 2.48 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 68' ' ' THR . . . . . 0.405 HG21 ' HB2' ' H' ' 96' ' ' SER . 25.2 p -112.27 116.81 31.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.744 0.307 . . . . 0.0 110.438 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -169.24 144.0 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.25 127.58 55.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.116 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 71' ' ' THR . . . . . 0.423 ' HG1' ' HA ' ' G' ' 71' ' ' THR . 0.0 OUTLIER -86.37 168.95 16.6 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.065 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -49.42 102.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.435 2.09 . . . . 0.0 113.297 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.55 112.76 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.755 0.659 . . . . 0.0 110.463 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.05 116.32 0.23 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 75' ' ' TYR . . . . . 0.439 ' HB3' ' NE2' ' H' ' 88' ' ' GLN . 4.4 t80 58.99 87.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 0.0 110.664 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.25 88.62 0.78 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.58 123.98 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 78' ' ' THR . . . . . 0.435 ' O ' HG22 ' H' ' 78' ' ' THR . 1.0 OUTLIER -79.8 114.79 18.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 110.257 178.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.94 -88.24 0.2 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.17 134.37 9.93 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -81.2 -168.1 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.769 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.19 -45.77 1.27 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.21 131.68 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.736 0.303 . . . . 0.0 110.688 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.42 -71.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.999 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.73 70.57 0.45 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 13.8 t -135.71 133.16 37.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.764 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -121.49 151.08 40.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.42 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 88' ' ' GLN . . . . . 0.439 ' NE2' ' HB3' ' H' ' 75' ' ' TYR . 0.4 OUTLIER -175.32 -173.6 0.66 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.057 -179.524 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 92.9 p -167.4 160.45 13.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.768 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 45.2 t -163.76 131.19 3.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.15 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.25 95.01 2.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.995 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.32 41.18 0.02 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.56 133.64 41.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 0.0 110.415 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.53 137.22 35.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.76 130.14 31.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.178 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 96' ' ' SER . . . . . 0.405 ' HB2' HG21 ' H' ' 68' ' ' THR . 47.6 t 58.07 51.39 8.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.522 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.571 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.679 0.276 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.37 132.16 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.949 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 89.8 m -118.25 130.68 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.24 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -143.06 123.66 14.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.722 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -88.65 -39.19 14.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.465 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.56 175.41 9.45 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.828 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 67.73 72.01 0.86 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' I' ' 49' ' ' GLY . 13.1 m-85 28.96 73.93 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.88 94.36 0.17 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 68.05 90.97 0.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.819 0.343 . . . . 0.0 110.143 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -149.0 145.93 27.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.861 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -127.62 121.54 30.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -71.76 -29.49 64.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.572 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 10.0 t 51.34 -161.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.416 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -57.98 138.93 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.354 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.78 28.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.697 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.83 -178.97 52.71 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.84 94.99 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 78.2 p -151.12 154.36 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.6 126.22 13.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.42 102.4 5.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.492 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 81.9 p -99.91 147.06 25.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.99 -159.97 0.72 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.31 -45.85 17.73 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.431 0.158 . . . . 0.0 110.636 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.82 -103.47 2.51 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 68' ' ' THR . . . . . 0.405 HG21 ' HB2' ' I' ' 96' ' ' SER . 26.5 p -112.09 116.63 30.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.05 144.12 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.687 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -110.23 127.74 55.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.089 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 169.09 16.07 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.904 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -49.5 102.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.59 2.194 . . . . 0.0 112.984 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -64.56 113.11 3.49 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.561 0.538 . . . . 0.0 110.505 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.12 116.56 0.24 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 75' ' ' TYR . . . . . 0.435 ' HB3' ' NE2' ' I' ' 88' ' ' GLN . 4.3 t80 58.68 88.33 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.505 0.193 . . . . 0.0 110.562 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.28 89.4 0.83 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 62.84 123.98 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 78' ' ' THR . . . . . 0.444 HG22 ' O ' ' I' ' 78' ' ' THR . 1.0 OUTLIER -79.66 114.72 18.8 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.334 179.134 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.73 -88.03 0.2 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.678 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.2 134.65 9.85 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.44 -168.15 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.453 . . . . 0.0 110.631 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.29 -45.42 1.32 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.04 131.75 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.766 0.317 . . . . 0.0 110.598 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 43.1 t -98.36 -71.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.101 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.79 70.56 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.968 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.65 133.13 37.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.795 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 65.9 m -121.36 151.03 40.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 88' ' ' GLN . . . . . 0.435 ' NE2' ' HB3' ' I' ' 75' ' ' TYR . 0.4 OUTLIER -175.5 -174.28 0.7 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.048 -179.577 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 93.2 p -166.67 160.54 15.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.833 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 45.4 t -163.61 131.79 3.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 111.137 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -145.85 96.18 2.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.783 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 155.4 41.32 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.51 133.34 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.726 0.298 . . . . 0.0 110.551 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.5 137.19 35.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.847 0.356 . . . . 0.0 110.929 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.72 130.15 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.138 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 96' ' ' SER . . . . . 0.405 ' HB2' HG21 ' I' ' 68' ' ' THR . 47.4 t 58.13 51.29 8.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.572 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.619 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.45 ' N ' ' HG ' ' B' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.32 136.22 48.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.607 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.7 m 53.95 95.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.883 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.04 129.3 6.95 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -135.34 147.45 49.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.839 0.352 . . . . 0.0 110.678 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.3 m 50.12 42.79 25.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.636 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -88.57 107.27 18.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -141.12 115.05 9.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.742 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -118.46 127.77 53.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -148.06 124.34 10.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.105 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.19 -54.32 8.76 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.37 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.3 t -132.61 -171.48 2.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.11 68.13 1.77 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 30.15 77.84 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.214 0.596 . . . . 0.0 111.753 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.02 -62.99 3.84 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -139.05 80.42 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.833 0.349 . . . . 0.0 110.209 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.6 t -138.85 128.24 24.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.93 166.49 21.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.85 49.32 12.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.732 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.05 -39.35 89.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.399 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.8 p -151.0 159.62 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -142.35 128.69 19.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.92 -152.18 48.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -50.36 115.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.382 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.84 153.52 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.769 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -100.0 107.96 20.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.285 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.76 104.61 16.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.752 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.5 m -119.65 127.83 53.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.463 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.64 -164.77 0.46 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.78 -53.9 22.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 111.097 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.11 -93.87 0.87 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.436 HG22 ' HB2' ' A' ' 96' ' ' SER . 19.2 p -115.06 113.21 23.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.011 0.434 . . . . 0.0 110.396 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.46 143.12 3.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.072 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -107.97 124.08 49.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.415 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.4 HG22 ' CD ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -83.58 174.28 6.19 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.892 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.408 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 76.2 Cg_exo -47.98 178.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.732 2.288 . . . . 0.0 113.818 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 72' ' ' PRO . 3.9 mp0 -150.39 111.72 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.285 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 113.83 -85.84 0.4 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.05 50.11 0.87 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.626 0.727 . . . . 0.0 110.809 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.13 127.79 44.14 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.48 91.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.711 0.291 . . . . 0.0 110.599 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.6 m -80.54 102.99 10.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.041 0.448 . . . . 0.0 110.346 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.16 -147.27 13.7 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.16 71.63 0.58 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -51.99 140.2 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.734 0.302 . . . . 0.0 110.974 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.59 -47.35 0.65 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.33 130.26 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.687 0.279 . . . . 0.0 110.265 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -133.95 94.2 3.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.458 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.74 99.22 7.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.279 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -147.12 -177.76 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.031 0.443 . . . . 0.0 111.324 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.5 t -155.98 135.26 12.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.75 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.39 -177.91 6.89 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.215 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.3 p -171.19 165.62 7.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t -163.43 128.71 3.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.663 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -141.34 86.79 2.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.007 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 151.05 48.31 0.02 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -97.46 133.24 42.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.714 0.292 . . . . 0.0 110.605 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.21 139.22 33.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.2 m -130.06 114.62 16.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.436 ' HB2' HG22 ' A' ' 68' ' ' THR . 5.8 t 65.19 85.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.618 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.616 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.45 ' HG ' ' N ' ' A' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.2 136.23 48.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.683 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m 53.9 95.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.05 129.31 6.95 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -135.27 147.58 49.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.0 m 50.0 42.73 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.679 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.5 107.18 18.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.95 115.04 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.822 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -118.38 127.79 54.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.668 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.07 124.38 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.335 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.38 -54.62 7.88 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.269 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.3 -171.23 2.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.962 0.41 . . . . 0.0 110.87 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 65.81 69.31 1.38 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 49' ' ' GLY . 88.0 m-85 28.74 78.33 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 O-C-N 124.12 0.541 . . . . 0.0 111.854 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.38 -62.98 3.99 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -139.02 80.37 1.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.894 0.378 . . . . 0.0 110.24 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.7 t -138.95 127.66 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 61.1 m -131.34 166.59 20.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 57.95 49.24 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.734 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -60.96 -39.42 89.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.425 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -150.9 159.7 44.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -142.45 128.68 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.586 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.85 -152.38 48.48 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.0 115.05 1.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.383 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p 175.82 153.22 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.885 0.374 . . . . 0.0 110.838 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.71 107.98 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.389 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.82 104.63 16.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.722 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -119.5 127.97 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.406 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.87 -164.59 0.48 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -53.92 22.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.723 0.297 . . . . 0.0 110.984 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.22 -94.1 0.89 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.437 HG22 ' HB2' ' B' ' 96' ' ' SER . 19.6 p -114.83 113.3 24.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 0.0 110.359 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.53 142.82 3.25 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.11 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.1 m -107.61 124.0 49.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.408 HG22 ' CD ' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -83.27 174.41 6.04 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.805 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.432 ' O ' ' NE2' ' B' ' 73' ' ' GLN . 76.5 Cg_exo -47.68 -179.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.786 2.324 . . . . 0.0 113.742 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' B' ' 72' ' ' PRO . 3.8 mp0 -152.04 110.95 3.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.237 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.65 -85.72 0.4 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.74 49.38 0.9 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.405 0.622 . . . . 0.0 110.782 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.29 128.08 43.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 91.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.743 0.306 . . . . 0.0 110.664 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.41 102.88 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.398 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.12 -146.67 13.23 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.99 71.63 0.57 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.09 140.38 20.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.921 0.391 . . . . 0.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.52 -47.24 0.66 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.26 130.36 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.686 0.279 . . . . 0.0 110.251 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.02 94.26 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.68 98.75 6.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.59 -177.62 5.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 111.379 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -155.93 135.13 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.873 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.26 -177.77 6.8 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.468 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 87.6 p -171.28 165.56 7.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -163.39 128.87 3.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.56 88.17 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.13 48.28 0.02 OUTLIER Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.4 133.16 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.713 0.292 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.31 139.24 33.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -130.13 114.55 15.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.369 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' SER . . . . . 0.437 ' HB2' HG22 ' B' ' 68' ' ' THR . 5.9 t 65.37 85.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.622 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.627 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 37' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' B' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.26 136.32 48.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.641 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m 53.8 95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.11 129.29 6.93 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -135.29 147.6 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.674 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 49.7 m 49.98 42.74 24.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.69 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.53 107.23 18.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.481 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.91 114.93 9.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.758 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -118.3 127.74 54.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.697 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.0 124.35 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.29 -54.67 7.82 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.39 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.26 -171.17 2.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.983 0.421 . . . . 0.0 110.905 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 65.73 69.4 1.36 Allowed Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' C' ' 49' ' ' GLY . 87.9 m-85 28.73 78.34 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.104 0.532 . . . . 0.0 111.851 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.43 -63.0 3.99 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -139.01 80.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.829 0.347 . . . . 0.0 110.176 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 20.8 t -138.85 127.58 23.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 61.5 m -131.31 166.58 20.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.96 49.31 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.78 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.07 -39.36 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 91.2 p -150.93 159.63 44.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -142.41 128.73 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.72 -152.36 48.23 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.96 115.02 1.23 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.44 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p 175.87 153.25 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.905 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.72 107.96 20.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.76 104.6 16.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 96.8 m -119.45 128.05 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.394 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.91 -164.59 0.48 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -53.98 22.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.589 0.233 . . . . 0.0 110.9 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.29 -94.1 0.88 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.437 HG22 ' HB2' ' C' ' 96' ' ' SER . 19.4 p -114.81 113.36 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.361 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.52 142.75 3.24 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.073 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 67.3 m -107.51 123.97 49.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.408 HG22 ' CD ' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -83.26 174.48 5.94 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.822 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 72' ' ' PRO . . . . . 0.408 ' CD ' HG22 ' C' ' 71' ' ' THR . 76.3 Cg_exo -47.7 -179.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.804 2.336 . . . . 0.0 113.682 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.15 110.99 3.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.184 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.75 -85.69 0.4 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.83 49.39 0.9 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.401 0.619 . . . . 0.0 110.782 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.29 128.12 43.42 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.2 91.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.777 0.323 . . . . 0.0 110.605 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.45 103.0 10.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.399 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.13 -146.72 13.25 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.0 71.61 0.58 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -51.97 140.43 20.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.929 0.395 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.47 -47.24 0.66 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.24 130.33 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.711 0.291 . . . . 0.0 110.268 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.94 94.25 3.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.472 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.65 98.61 6.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.342 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.48 -177.61 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.41 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -155.93 135.15 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.818 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.26 -177.89 6.89 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.463 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 87.3 p -171.21 165.53 7.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.28 128.9 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.741 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.62 88.39 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.96 48.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.44 133.14 42.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.312 . . . . 0.0 110.59 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.27 139.28 33.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.16 114.58 15.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.379 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 96' ' ' SER . . . . . 0.437 ' HB2' HG22 ' C' ' 68' ' ' THR . 5.9 t 65.27 86.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.56 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 37' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' C' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.2 136.19 48.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.695 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m 53.97 95.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.09 129.27 6.93 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -135.17 147.63 49.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.773 0.321 . . . . 0.0 110.638 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 49.6 m 49.96 42.78 24.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.48 107.17 18.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 45.7 t -140.89 115.09 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m -118.53 127.66 53.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.759 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -147.93 124.34 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.421 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.46 -54.39 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.334 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.48 -171.19 2.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.96 0.41 . . . . 0.0 110.9 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 65.8 69.39 1.36 Allowed Glycine 0 CA--C 1.521 0.435 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' D' ' 49' ' ' GLY . 87.8 m-85 28.77 78.53 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.14 0.553 . . . . 0.0 111.645 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.57 -62.98 4.06 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -138.96 80.31 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.846 0.355 . . . . 0.0 110.226 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 21.6 t -138.96 127.62 23.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.951 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.26 166.64 20.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 57.9 49.34 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.725 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -61.04 -39.4 89.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.353 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 91.3 p -150.91 159.65 44.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.47 128.66 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.75 -152.36 48.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.95 115.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.376 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.76 153.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.872 0.367 . . . . 0.0 110.915 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.68 107.92 20.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.309 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.73 104.62 16.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.726 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -119.71 127.83 53.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.6 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.62 -164.56 0.44 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -53.46 27.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.581 0.229 . . . . 0.0 111.003 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.8 -93.96 0.89 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 68' ' ' THR . . . . . 0.433 HG22 ' HB2' ' D' ' 96' ' ' SER . 19.3 p -114.83 113.1 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.631 0.253 . . . . 0.0 110.681 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.43 142.91 3.34 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.11 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 66.6 m -107.53 124.02 49.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.429 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 71' ' ' THR . . . . . 0.408 HG22 ' CD ' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -83.36 174.5 5.9 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.81 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 72' ' ' PRO . . . . . 0.408 ' CD ' HG22 ' D' ' 71' ' ' THR . 77.0 Cg_exo -47.7 -179.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.787 2.325 . . . . 0.0 113.715 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 73' ' ' GLN . . . . . 0.402 ' H ' ' H ' ' E' ' 74' ' ' GLY . 0.6 OUTLIER -152.1 110.93 3.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.308 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.66 -85.58 0.39 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.97 49.44 0.9 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.424 0.631 . . . . 0.0 110.769 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.32 128.1 43.41 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t 50.38 91.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 110.569 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.35 102.77 9.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.13 -146.76 13.29 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 71.73 0.56 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.13 140.44 20.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.46 -47.17 0.66 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.24 130.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.725 0.298 . . . . 0.0 110.227 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.0 94.13 3.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.61 98.7 6.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.373 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.53 -177.72 5.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.98 0.419 . . . . 0.0 111.39 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.9 135.09 12.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.855 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.26 -177.92 6.9 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.443 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.09 165.51 7.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.32 128.76 3.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.64 88.42 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.0 48.52 0.02 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -97.42 133.14 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.66 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.3 139.21 33.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -130.04 114.53 15.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 96' ' ' SER . . . . . 0.433 ' HB2' HG22 ' D' ' 68' ' ' THR . 5.9 t 65.38 85.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.63 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.615 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 37' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' D' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.27 136.29 48.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.734 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m 53.71 95.82 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.227 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.36 129.44 6.93 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -135.33 147.59 49.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.675 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 49.7 m 49.98 42.76 24.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.723 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.52 106.94 18.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.485 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 46.0 t -140.49 115.04 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -118.46 127.92 54.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 110.651 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -148.18 125.18 11.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -77.07 -50.84 12.17 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 118.955 -1.098 . . . . 0.0 111.757 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 8.8 t -130.99 -171.07 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.098 0.475 . . . . 0.0 111.441 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 49' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 65.97 70.11 1.18 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 177.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 50' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' E' ' 49' ' ' GLY . 87.8 m-85 26.21 81.33 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 124.669 0.864 . . . . 0.0 110.841 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.15 -64.56 3.24 Favored Glycine 0 CA--C 1.518 0.232 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -138.42 81.83 1.87 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.01 0.434 . . . . 0.0 110.002 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 21.5 t -139.73 127.66 22.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.587 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -131.38 166.72 20.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.21 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 57.8 49.13 12.62 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.711 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 72.9 m -60.98 -39.35 89.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.423 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 91.3 p -150.94 159.62 44.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.41 128.66 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.59 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.82 -152.32 48.48 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.06 115.06 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.78 153.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.368 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.73 107.85 20.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.348 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.66 104.5 16.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.817 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -119.48 127.99 53.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.295 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.43 -164.81 0.43 Allowed Glycine 0 CA--C 1.524 0.607 0 O-C-N 123.892 0.745 . . . . 0.0 111.266 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.7 -54.59 17.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.649 0.261 . . . . 0.0 110.75 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.63 -94.3 0.88 Allowed Glycine 0 N--CA 1.462 0.403 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 68' ' ' THR . . . . . 0.434 HG22 ' HB2' ' E' ' 96' ' ' SER . 19.4 p -114.84 113.15 23.83 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.114 0.538 . . . . 0.0 110.257 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -168.32 143.54 3.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.002 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 69.4 m -108.34 125.54 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 119.009 -0.52 . . . . 0.0 110.165 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 71' ' ' THR . . . . . 0.4 HG22 ' CD ' ' E' ' 72' ' ' PRO . 0.0 OUTLIER -84.65 174.44 5.8 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 125.06 1.475 . . . . 0.0 109.265 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 72' ' ' PRO . . . . . 0.404 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 75.8 Cg_exo -47.84 -179.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 122.782 2.321 . . . . 0.0 113.583 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -151.83 114.12 4.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.619 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 74' ' ' GLY . . . . . 0.402 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 113.0 -86.62 0.43 Allowed Glycine 0 CA--C 1.534 1.278 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.1 48.94 0.9 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.294 0.569 . . . . 0.0 111.038 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.09 128.05 42.86 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t 49.79 92.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.366 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 6.9 m -81.04 103.56 10.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.229 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.44 -146.79 13.07 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.66 72.3 0.47 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -52.71 139.96 24.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.004 0.43 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.84 -44.77 0.73 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 169.02 130.75 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.875 0.369 . . . . 0.0 110.061 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.26 93.61 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.65 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.05 97.77 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.359 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.16 -177.88 5.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.002 0.43 . . . . 0.0 111.353 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -155.81 135.05 12.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.854 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.39 -178.24 7.13 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.475 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 88.3 p -170.12 165.77 9.17 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -162.81 128.99 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.34 88.07 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.799 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.12 48.85 0.02 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -96.3 132.86 41.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.467 -0.093 . . . . 0.0 110.875 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.19 139.4 33.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.9 m -129.93 114.49 15.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.261 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 96' ' ' SER . . . . . 0.434 ' HB2' HG22 ' E' ' 68' ' ' THR . 5.9 t 65.29 86.11 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.727 0.642 . . . . 0.0 110.657 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.543 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 37' ' ' SER . . . . . 0.45 ' N ' ' HG ' ' G' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.22 136.27 48.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.698 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 49.8 m 53.94 95.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.11 129.37 6.97 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -135.35 147.62 49.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 110.741 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 49.7 m 49.98 42.74 24.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.73 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.6 107.18 18.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.502 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 45.4 t -140.94 115.03 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -118.37 127.94 54.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.651 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -148.1 124.5 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.405 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.3 -54.77 7.55 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.31 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.23 -171.25 2.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.858 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 65.8 69.55 1.32 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' F' ' 49' ' ' GLY . 87.9 m-85 28.5 78.3 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.123 0.543 . . . . 0.0 111.919 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.3 -63.1 3.89 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -138.99 80.39 1.78 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.829 0.347 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 21.3 t -138.98 127.52 23.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 61.4 m -131.26 166.61 20.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.95 49.23 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.763 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -60.98 -39.4 89.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.413 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -150.91 159.72 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.45 128.64 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.619 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.83 -152.36 48.47 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.95 114.97 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.86 153.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.369 . . . . 0.0 110.877 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.71 108.02 20.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.301 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.88 104.52 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -119.31 128.33 54.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.21 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -164.42 0.51 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.85 -54.42 19.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.636 0.255 . . . . 0.0 110.89 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.56 -94.22 0.88 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 68' ' ' THR . . . . . 0.436 HG22 ' HB2' ' F' ' 96' ' ' SER . 19.5 p -114.65 113.52 24.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.65 142.78 3.17 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 67.0 m -107.51 124.04 49.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.461 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 71' ' ' THR . . . . . 0.407 HG22 ' CD ' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -83.34 174.54 5.85 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.804 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 72' ' ' PRO . . . . . 0.428 ' O ' ' NE2' ' F' ' 73' ' ' GLN . 76.3 Cg_exo -47.7 -179.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.77 2.313 . . . . 0.0 113.682 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 73' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' F' ' 72' ' ' PRO . 3.8 mp0 -152.07 110.87 3.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.281 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.71 -85.72 0.4 Allowed Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.53 49.1 0.91 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.347 0.594 . . . . 0.0 110.804 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.16 128.2 43.36 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.08 91.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.79 0.329 . . . . 0.0 110.628 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 6.7 m -80.39 102.95 9.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.14 -146.76 13.28 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.13 71.61 0.58 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -52.02 140.39 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.921 0.391 . . . . 0.0 110.951 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.49 -47.18 0.66 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.26 130.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -133.94 94.21 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.521 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.62 98.69 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.4 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.5 -177.54 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 0.0 111.398 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -155.99 135.13 12.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.833 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.23 -177.83 6.84 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.531 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.26 165.52 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.877 0.37 . . . . 0.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.4 128.87 3.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.787 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.44 88.42 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.91 48.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.41 133.08 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.24 139.24 33.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.7 m -130.1 114.54 15.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.386 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 96' ' ' SER . . . . . 0.436 ' HB2' HG22 ' F' ' 68' ' ' THR . 5.9 t 65.32 85.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.642 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.562 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 37' ' ' SER . . . . . 0.451 ' N ' ' HG ' ' H' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.14 136.3 48.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.678 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m 53.89 95.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.13 129.28 6.93 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -135.22 147.57 49.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.674 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 49.3 m 50.02 42.74 25.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.683 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.53 107.19 18.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -140.89 115.0 9.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -118.37 127.75 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.703 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.02 124.35 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.382 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -73.33 -54.64 7.87 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.363 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.35 -171.22 2.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.974 0.416 . . . . 0.0 110.861 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 65.76 69.29 1.39 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' G' ' 49' ' ' GLY . 87.9 m-85 28.85 78.31 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 O-C-N 124.119 0.541 . . . . 0.0 111.887 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.41 -63.0 3.98 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -139.02 80.34 1.78 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.842 0.353 . . . . 0.0 110.198 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 20.5 t -138.91 127.66 23.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.905 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.34 166.59 20.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.508 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 57.88 49.33 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.724 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 73.1 m -60.99 -39.34 89.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.488 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 91.2 p -150.96 159.66 44.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -142.44 128.65 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.83 -152.38 48.45 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.02 115.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.431 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.9 153.23 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.895 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.71 107.94 20.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.312 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.72 104.6 16.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.774 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 96.3 m -119.39 127.99 53.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.493 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.84 -164.56 0.47 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -53.98 23.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.624 0.25 . . . . 0.0 110.902 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.31 -94.06 0.88 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 68' ' ' THR . . . . . 0.432 HG22 ' HB2' ' G' ' 96' ' ' SER . 19.5 p -114.92 113.36 24.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 0.0 110.38 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.56 142.81 3.23 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.086 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -107.53 124.02 49.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.397 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 71' ' ' THR . . . . . 0.408 HG22 ' CD ' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -83.32 174.51 5.9 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.787 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 72' ' ' PRO . . . . . 0.408 ' CD ' HG22 ' G' ' 71' ' ' THR . 76.4 Cg_exo -47.65 -179.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.84 2.36 . . . . 0.0 113.694 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.15 110.91 3.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.205 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.86 -85.69 0.4 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.82 49.24 0.91 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.425 0.631 . . . . 0.0 110.798 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.24 128.19 43.48 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 91.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.786 0.327 . . . . 0.0 110.61 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.4 102.87 9.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.365 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.06 -146.7 13.3 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.03 71.65 0.57 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -52.0 140.44 20.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.887 0.375 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.45 -47.27 0.66 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 171.28 130.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.96 94.2 3.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.535 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.63 98.63 6.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.369 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.47 -177.55 5.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 111.399 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.93 135.11 12.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.803 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.26 -177.84 6.84 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.42 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.2 165.52 7.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.813 0.34 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.33 128.89 3.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.57 88.49 2.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.86 48.4 0.02 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.42 133.11 42.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.586 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.26 33.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.1 m -130.11 114.54 15.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.374 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 96' ' ' SER . . . . . 0.432 ' HB2' HG22 ' G' ' 68' ' ' THR . 5.9 t 65.34 85.98 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.652 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.598 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 37' ' ' SER . . . . . 0.451 ' HG ' ' N ' ' G' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.21 136.27 48.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.68 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m 53.89 95.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.07 129.34 6.96 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -135.27 147.58 49.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.691 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 49.2 m 50.01 42.68 25.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.724 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.51 107.22 18.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.96 115.02 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.757 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -118.36 127.8 54.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.677 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -148.02 124.4 10.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.404 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.44 -54.64 7.8 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.304 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.27 -171.22 2.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.932 0.396 . . . . 0.0 110.911 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 65.73 69.42 1.35 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' H' ' 49' ' ' GLY . 88.0 m-85 28.77 78.28 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 O-C-N 124.209 0.594 . . . . 0.0 111.83 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.39 -63.02 3.96 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -138.95 80.34 1.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.79 0.329 . . . . 0.0 110.268 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 21.3 t -138.92 127.59 23.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.918 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 62.2 m -131.33 166.65 20.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 57.89 49.27 12.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.81 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 73.0 m -61.0 -39.38 89.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.433 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 91.6 p -150.87 159.67 44.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.535 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -142.43 128.68 19.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.77 -152.29 48.4 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.04 115.0 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.408 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.87 153.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.883 0.373 . . . . 0.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.78 108.01 20.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.294 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.81 104.6 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -119.44 128.14 53.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.04 -164.54 0.5 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -54.02 22.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.569 0.223 . . . . 0.0 110.89 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.28 -94.15 0.89 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 68' ' ' THR . . . . . 0.431 HG22 ' HB2' ' H' ' 96' ' ' SER . 19.6 p -114.79 113.43 24.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.58 142.88 3.23 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.05 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 67.5 m -107.67 124.05 49.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.356 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 71' ' ' THR . . . . . 0.41 HG22 ' CD ' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -83.33 174.52 5.87 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.786 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 72' ' ' PRO . . . . . 0.426 ' O ' ' NE2' ' H' ' 73' ' ' GLN . 76.0 Cg_exo -47.72 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.819 2.346 . . . . 0.0 113.665 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 73' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' H' ' 72' ' ' PRO . 3.8 mp0 -152.11 111.01 3.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.213 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.74 -85.66 0.4 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.74 49.13 0.91 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.439 0.637 . . . . 0.0 110.817 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.12 128.23 43.35 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.17 91.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.579 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.33 102.93 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.418 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.12 -146.73 13.27 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.04 71.72 0.56 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.13 140.43 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 110.902 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.48 -47.19 0.66 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.22 130.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.29 . . . . 0.0 110.259 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.96 94.16 3.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.59 98.64 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.331 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.52 -177.68 5.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.985 0.421 . . . . 0.0 111.386 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 48.1 t -155.83 135.12 12.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.808 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.28 -177.92 6.9 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.443 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 87.2 p -171.16 165.56 7.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.89 0.376 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -163.36 128.87 3.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.776 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.57 88.65 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.83 48.41 0.02 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.38 133.08 42.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.709 0.29 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.21 33.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.07 114.47 15.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.425 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 96' ' ' SER . . . . . 0.431 ' HB2' HG22 ' H' ' 68' ' ' THR . 5.9 t 65.34 86.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.594 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.577 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 37' ' ' SER . . . . . 0.45 ' HG ' ' N ' ' H' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.32 136.25 48.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.667 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m 53.87 95.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.16 129.35 6.94 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -135.22 147.75 49.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.317 . . . . 0.0 110.645 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 49.2 m 49.86 42.71 24.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.707 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.54 107.15 18.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.84 115.33 9.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -118.67 127.77 53.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -147.84 125.53 11.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.34 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -74.67 -54.61 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.063 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -132.39 -171.16 2.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.955 0.407 . . . . 0.0 110.819 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 49' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 65.72 69.39 1.36 Allowed Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 50' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' I' ' 49' ' ' GLY . 87.8 m-85 28.55 79.11 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.195 0.585 . . . . 0.0 111.734 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.96 -63.14 4.1 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -139.08 80.61 1.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.846 0.355 . . . . 0.0 110.208 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 22.2 t -139.18 127.46 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.79 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 61.3 m -131.28 166.6 20.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 57.94 49.27 12.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.73 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.04 -39.34 89.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.419 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 90.7 p -150.93 159.7 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -142.45 128.64 19.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.84 -152.28 48.55 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.24 114.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.639 0.257 . . . . 0.0 110.475 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 176.07 153.3 0.17 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -99.78 107.94 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.28 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.77 104.58 16.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.4 m -119.31 128.26 53.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.391 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.1 -164.39 0.5 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.14 -54.0 23.71 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.219 -0.192 . . . . 0.0 110.795 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.38 -94.21 0.89 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 68' ' ' THR . . . . . 0.433 HG22 ' HB2' ' I' ' 96' ' ' SER . 19.9 p -114.78 113.39 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -168.58 142.91 3.24 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.8 m -107.31 124.81 50.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.346 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 71' ' ' THR . . . . . 0.41 HG22 ' CD ' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -83.92 174.41 5.95 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.658 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 72' ' ' PRO . . . . . 0.41 ' CD ' HG22 ' I' ' 71' ' ' THR . 75.0 Cg_exo -47.98 -179.12 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.838 2.359 . . . . 0.0 113.437 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.18 111.35 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.268 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.88 -85.55 0.39 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.44 48.3 0.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.229 0.538 . . . . 0.0 110.792 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.36 128.35 41.45 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.08 91.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.814 0.34 . . . . 0.0 110.539 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.22 102.83 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.508 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.97 -146.54 13.24 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 71.71 0.56 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -52.14 140.74 20.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.046 0.451 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.37 -47.1 0.67 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 171.23 130.38 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.706 0.289 . . . . 0.0 110.236 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.02 94.22 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.524 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.62 98.53 6.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.53 -178.25 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.975 0.417 . . . . 0.0 111.373 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.24 135.19 12.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.895 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.51 -178.72 7.48 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.378 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -170.45 165.67 8.55 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -163.25 129.24 3.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.77 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -141.91 89.78 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.614 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 148.91 48.49 0.02 OUTLIER Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.32 132.94 42.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 0.0 110.587 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.2 33.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.16 114.7 16.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.347 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 96' ' ' SER . . . . . 0.433 ' HB2' HG22 ' I' ' 68' ' ' THR . 5.9 t 65.23 86.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.599 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -127.41 141.06 51.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.562 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m 56.02 94.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.32 156.23 23.33 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.84 -173.58 2.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 0.0 110.516 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.5 t -57.76 140.05 52.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -131.27 145.09 51.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.774 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -138.46 123.16 18.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.5 m -129.77 129.36 44.0 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.5 132.07 14.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.249 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.402 HG21 ' HD3' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -81.53 -50.38 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.077 0.465 . . . . 0.0 110.922 -179.725 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.4 t -132.68 -154.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.218 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.29 54.22 17.76 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.813 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 52.45 -174.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.185 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.53 -54.36 1.34 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -160.63 -78.77 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.595 0.236 . . . . 0.0 110.741 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.1 m -129.67 126.25 37.9 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.901 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -100.2 126.46 46.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.443 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.65 137.71 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.667 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.0 m -132.54 104.0 6.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.48 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.76 110.78 22.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.671 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.97 174.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.69 -161.5 51.22 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 52.54 -177.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.795 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.9 -33.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.39 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -123.07 105.46 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.489 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -94.76 103.98 15.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -120.47 133.28 55.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.754 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.66 -161.45 0.11 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.98 -53.85 14.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.984 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.83 -100.51 1.18 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.407 HG22 ' HB2' ' A' ' 96' ' ' SER . 19.7 p -116.15 112.79 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.98 0.419 . . . . 0.0 110.55 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.95 152.69 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.381 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -112.71 121.29 44.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.429 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.04 173.7 6.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.999 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.402 ' HD3' HG21 ' A' ' 47' ' ' THR . 81.3 Cg_exo -45.19 170.25 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.546 2.164 . . . . 0.0 113.622 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -144.95 111.28 5.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.689 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 124.56 -79.95 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.67 -61.38 1.43 Allowed 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.239 -0.184 . . . . 0.0 110.714 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.51 112.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.499 ' HA ' ' HG ' ' B' ' 77' ' ' SER . 89.3 p 47.75 91.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 m -82.03 110.35 17.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.143 0.497 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.35 -142.84 10.66 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.2 74.4 0.26 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.8 138.58 53.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.7 0.285 . . . . 0.0 110.973 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.75 -45.45 0.68 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.47 132.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.796 0.332 . . . . 0.0 110.198 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.23 95.26 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.7 91.95 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.3 p -147.52 -176.55 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.048 0.451 . . . . 0.0 111.43 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -161.93 141.44 9.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.32 -176.11 5.43 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.143 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -169.7 178.32 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.817 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.5 155.02 31.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.205 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -67.58 0.85 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.831 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.71 103.91 0.18 Allowed Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.766 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.66 159.22 21.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.687 0.279 . . . . 0.0 110.264 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -129.42 140.79 51.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -131.07 125.32 32.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.407 ' HB2' HG22 ' A' ' 68' ' ' THR . 11.8 t 59.3 -166.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.589 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -127.44 140.99 51.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.553 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m 56.06 94.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.25 156.27 23.32 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.73 -173.25 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.737 0.303 . . . . 0.0 110.584 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -58.08 140.06 53.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.756 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.16 145.35 51.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.804 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -138.59 123.18 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.312 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.7 m -129.82 129.13 43.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 111.345 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.23 132.06 15.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.374 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.408 HG21 ' HD3' ' B' ' 72' ' ' PRO . 1.0 OUTLIER -81.77 -50.41 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.811 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.5 t -132.4 -153.28 0.54 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.33 56.36 12.24 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.364 -0.922 . . . . 0.0 111.446 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 50.35 -173.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.495 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.75 -54.52 1.3 Allowed Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -160.73 -79.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.592 0.234 . . . . 0.0 110.63 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.8 m -129.46 126.33 38.47 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.083 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 71.1 m -100.09 126.22 46.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.61 47.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.674 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m -132.53 103.88 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 40.2 t -108.56 110.72 22.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.92 174.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.809 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.59 -161.42 51.05 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.66 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.971 0.415 . . . . 0.0 110.772 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.94 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.357 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -122.94 105.4 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.556 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.74 103.94 15.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.552 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -120.26 133.38 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.744 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.63 -161.34 0.1 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.18 -53.92 15.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.613 0.244 . . . . 0.0 110.812 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.94 -100.65 1.19 Allowed Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.507 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.41 HG22 ' HB2' ' B' ' 96' ' ' SER . 20.1 p -115.82 112.68 22.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.597 0.237 . . . . 0.0 110.64 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.01 152.26 5.1 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.406 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -112.25 121.21 44.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.369 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.66 173.91 6.72 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.916 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 85.9 Cg_exo -45.01 171.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.629 2.219 . . . . 0.0 113.395 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.411 ' H ' ' H ' ' C' ' 74' ' ' GLY . 6.6 mp0 -146.68 110.55 4.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.845 -1.071 . . . . 0.0 108.64 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.18 -79.69 0.36 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.5 -61.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.715 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.65 113.17 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.499 ' HG ' ' HA ' ' A' ' 77' ' ' SER . 90.5 p 47.7 91.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.926 0.393 . . . . 0.0 110.754 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 41.4 m -81.77 110.28 16.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.401 . . . . 0.0 110.964 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.47 -142.45 10.43 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.1 74.54 0.25 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.97 138.82 53.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.916 0.388 . . . . 0.0 110.978 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.69 -45.31 0.69 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.38 132.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.771 0.319 . . . . 0.0 110.249 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.21 95.3 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.6 91.57 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.269 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 59.2 p -147.06 -176.5 5.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.035 0.445 . . . . 0.0 111.482 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 47.2 t -161.9 141.37 9.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.009 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.33 -175.98 5.35 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.313 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 22.5 t -169.74 178.25 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 154.82 31.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.278 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.99 -67.55 0.85 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.79 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.73 103.7 0.18 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.659 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.48 159.04 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.649 0.261 . . . . 0.0 110.407 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.32 140.85 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.7 m -131.04 125.4 33.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.32 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' SER . . . . . 0.41 ' HB2' HG22 ' B' ' 68' ' ' THR . 11.7 t 59.12 -166.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.586 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 66.1 t80 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.521 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.46 140.92 51.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m 56.06 94.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.33 156.32 23.39 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.78 -173.25 2.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.753 0.311 . . . . 0.0 110.606 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 40.2 t -58.11 140.15 53.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.662 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.13 145.37 51.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -138.7 123.15 18.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.247 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -129.75 129.08 43.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 111.405 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.26 132.13 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.332 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' THR . . . . . 0.408 HG21 ' HD3' ' C' ' 72' ' ' PRO . 1.0 OUTLIER -81.74 -50.56 9.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.872 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -132.41 -153.24 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.3 56.33 12.4 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.514 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 50.4 -173.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.551 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.87 -54.52 1.29 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.74 -79.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.547 0.213 . . . . 0.0 110.575 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 70.9 m -129.3 126.41 38.94 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.093 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 71.7 m -100.25 126.25 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.69 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.643 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 62.6 m -132.56 103.88 6.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.516 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.58 110.76 22.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.778 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.88 174.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.42 51.25 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.58 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.382 . . . . 0.0 110.792 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 4.3 t -171.87 -33.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.359 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -122.99 105.49 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -94.91 103.93 15.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.25 133.4 55.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.73 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.76 -161.33 0.11 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -53.99 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.608 0.242 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.05 -100.63 1.18 Allowed Glycine 0 CA--C 1.523 0.539 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.443 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.412 HG22 ' HB2' ' C' ' 96' ' ' SER . 20.1 p -115.91 112.83 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.633 0.254 . . . . 0.0 110.621 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.09 152.29 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.371 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -112.23 121.25 44.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.392 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.74 173.99 6.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.813 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 72' ' ' PRO . . . . . 0.414 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 87.3 Cg_exo -45.0 172.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.716 2.278 . . . . 0.0 113.312 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 73' ' ' GLN . . . . . 0.408 ' H ' ' H ' ' D' ' 74' ' ' GLY . 6.5 mp0 -146.89 110.54 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.61 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 74' ' ' GLY . . . . . 0.411 ' H ' ' H ' ' B' ' 73' ' ' GLN . . . 125.22 -79.57 0.36 Allowed Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 -178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.69 -61.4 1.43 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.724 0.297 . . . . 0.0 110.686 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.76 113.18 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 77' ' ' SER . . . . . 0.497 ' HA ' ' HG ' ' D' ' 77' ' ' SER . 90.3 p 47.6 91.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.972 0.415 . . . . 0.0 110.748 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 41.8 m -81.79 110.45 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.409 . . . . 0.0 110.964 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.42 -142.57 10.5 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.18 74.58 0.24 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.96 138.86 53.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.961 0.41 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.62 -45.3 0.69 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.67 0.271 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 70.3 m -128.16 95.2 4.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.66 91.59 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.244 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 59.1 p -147.01 -176.53 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 111.479 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -161.89 141.47 9.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.004 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.34 -176.07 5.4 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.367 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 22.5 t -169.65 178.24 4.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.915 0.388 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.32 154.98 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.212 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -67.61 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.761 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.67 103.67 0.18 Allowed Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.613 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.57 159.07 21.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.656 0.265 . . . . 0.0 110.373 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.43 140.79 51.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.04 125.3 32.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.341 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 96' ' ' SER . . . . . 0.412 ' HB2' HG22 ' C' ' 68' ' ' THR . 11.6 t 59.29 -166.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.619 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.579 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -127.47 140.98 51.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.492 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m 56.06 94.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.28 156.28 23.34 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.79 -173.14 2.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.745 0.307 . . . . 0.0 110.473 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -58.09 140.28 52.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.682 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -131.29 145.36 51.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -138.66 123.12 18.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.38 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -129.79 128.93 43.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.349 . . . . 0.0 111.428 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.09 132.1 15.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.311 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 47' ' ' THR . . . . . 0.409 HG21 ' HD3' ' D' ' 72' ' ' PRO . 1.0 OUTLIER -81.84 -50.63 9.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 110.693 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 15.6 t -132.26 -153.21 0.54 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.5 56.25 12.32 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.492 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' E' ' 49' ' ' GLY . 35.2 m-85 50.41 -173.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.453 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.9 -54.48 1.29 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.78 -79.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 110.566 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -129.32 126.41 38.91 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.065 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.26 126.09 46.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.563 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.4 137.62 46.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.753 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 62.5 m -132.46 103.79 6.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 40.4 t -108.52 110.74 22.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.795 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.9 174.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.65 -161.38 51.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.57 -177.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.779 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -172.07 -33.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.05 105.39 9.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.547 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -94.91 104.03 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -120.5 133.24 55.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.62 -161.36 0.1 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.06 -53.68 15.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.661 0.267 . . . . 0.0 110.932 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.64 -100.53 1.2 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 68' ' ' THR . . . . . 0.41 HG22 ' HB2' ' D' ' 96' ' ' SER . 19.9 p -115.86 112.6 22.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.616 0.246 . . . . 0.0 110.894 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.07 152.41 5.11 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.387 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -112.34 121.42 44.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.329 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.88 173.93 6.65 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.773 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 72' ' ' PRO . . . . . 0.417 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 84.8 Cg_exo -45.01 172.01 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.596 2.197 . . . . 0.0 113.361 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 73' ' ' GLN . . . . . 0.444 ' H ' ' H ' ' E' ' 74' ' ' GLY . 6.5 mp0 -146.9 110.51 4.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.696 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 74' ' ' GLY . . . . . 0.408 ' H ' ' H ' ' C' ' 73' ' ' GLN . . . 125.17 -79.6 0.36 Allowed Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.159 -1.177 . . . . 0.0 110.159 -178.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.64 -61.58 1.41 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.687 0.279 . . . . 0.0 110.665 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.89 113.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 77' ' ' SER . . . . . 0.497 ' HG ' ' HA ' ' C' ' 77' ' ' SER . 89.7 p 47.76 91.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.902 0.382 . . . . 0.0 110.738 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 41.2 m -81.64 110.35 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.891 0.377 . . . . 0.0 111.029 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.62 -142.58 10.42 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.17 74.64 0.24 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.84 138.81 52.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.87 0.366 . . . . 0.0 111.081 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.61 -45.14 0.7 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.28 132.48 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.761 0.315 . . . . 0.0 110.226 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -128.1 95.12 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.609 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.56 91.62 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.209 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 58.8 p -147.02 -176.5 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.069 0.461 . . . . 0.0 111.444 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 47.3 t -161.9 141.38 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.973 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.31 -176.1 5.42 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.325 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 22.7 t -169.6 178.21 4.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.888 0.375 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.33 154.93 31.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.185 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.24 -67.39 0.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.804 -0.359 . . . . 0.0 111.838 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.72 103.6 0.18 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.601 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.5 159.04 21.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.671 0.272 . . . . 0.0 110.38 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.38 140.75 51.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.342 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.06 125.24 32.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.305 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 96' ' ' SER . . . . . 0.41 ' HB2' HG22 ' D' ' 68' ' ' THR . 11.8 t 59.31 -166.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.472 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -127.54 140.92 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.671 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m 56.07 94.02 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.406 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.45 156.28 23.43 Favored Glycine 0 C--N 1.338 0.694 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.76 -173.19 2.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.751 0.31 . . . . 0.0 110.561 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -58.15 140.2 53.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.733 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -131.24 145.34 51.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -138.64 123.16 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.299 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 97.4 m -129.86 128.98 43.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 111.359 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -150.03 132.8 15.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.331 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 47' ' ' THR . . . . . 0.404 HG21 ' HD3' ' E' ' 72' ' ' PRO . 1.0 OUTLIER -84.12 -48.3 10.0 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 119.719 -0.792 . . . . 0.0 111.231 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 14.8 t -130.83 -152.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 70.67 49.0 32.27 Favored Glycine 0 C--N 1.343 0.931 0 C-N-CA 118.107 -1.997 . . . . 0.0 112.585 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 53.94 -174.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.377 0.588 . . . . 0.0 109.854 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.49 -53.79 1.3 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -160.62 -81.57 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 68.0 m -128.64 127.18 41.7 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.295 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 73.5 m -101.74 126.22 48.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.112 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.62 47.12 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.662 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 62.5 m -132.52 103.87 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.564 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.65 110.85 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 55.8 174.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.77 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.35 51.3 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.47 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.88 -33.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.361 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -123.06 105.4 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.8 103.87 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.602 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 97.8 m -120.21 133.36 55.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.56 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.07 -162.13 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.49 -54.59 11.1 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.677 0.275 . . . . 0.0 110.558 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.2 -100.51 1.16 Allowed Glycine 0 CA--C 1.522 0.525 0 CA-C-O 119.266 -0.741 . . . . 0.0 111.513 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 68' ' ' THR . . . . . 0.411 HG22 ' HB2' ' E' ' 96' ' ' SER . 19.9 p -116.07 112.05 21.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.687 0.875 . . . . 0.0 110.48 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.34 152.9 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.33 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 95.3 p -112.87 122.68 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 119.178 -0.439 . . . . 0.0 110.18 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.0 173.9 6.5 Favored Pre-proline 0 C--N 1.327 -0.397 0 O-C-N 124.895 1.372 . . . . 0.0 109.351 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 72' ' ' PRO . . . . . 0.417 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 88.1 Cg_exo -45.01 171.91 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.632 2.221 . . . . 0.0 113.29 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 73' ' ' GLN . . . . . 0.405 ' H ' ' H ' ' F' ' 74' ' ' GLY . 6.2 mp0 -146.54 114.08 6.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 74' ' ' GLY . . . . . 0.444 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 122.62 -81.64 0.35 Allowed Glycine 0 CA--C 1.541 1.666 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -177.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.82 -60.08 1.6 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.824 0.312 . . . . 0.0 111.022 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.11 113.45 0.01 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 77' ' ' SER . . . . . 0.496 ' HG ' ' HA ' ' D' ' 77' ' ' SER . 93.6 p 46.61 93.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.136 0.493 . . . . 0.0 110.418 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 42.1 m -82.64 110.68 17.92 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.68 -142.19 10.22 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.91 74.62 0.24 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -57.32 138.63 54.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.916 0.388 . . . . 0.0 111.005 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.89 -43.37 0.75 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 169.23 132.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.85 0.357 . . . . 0.0 110.096 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 70.0 m -128.38 94.75 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.7 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.08 90.71 3.4 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.741 0.651 . . . . 0.0 110.265 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 59.4 p -146.66 -176.81 5.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.016 0.436 . . . . 0.0 111.469 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 47.3 t -161.73 141.37 10.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.962 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.37 -176.12 5.43 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.317 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -169.38 178.6 4.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.88 0.371 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.23 154.83 31.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.143 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -66.04 0.95 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.05 101.71 0.16 Allowed Glycine 0 C--N 1.34 0.794 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.833 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -82.48 159.11 22.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 0.0 110.321 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.39 140.77 51.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -130.91 125.19 32.86 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.175 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 96' ' ' SER . . . . . 0.411 ' HB2' HG22 ' E' ' 68' ' ' THR . 11.9 t 59.61 -166.15 0.19 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.981 0.801 . . . . 0.0 110.403 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.489 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -127.39 141.01 51.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.546 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m 56.11 94.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.742 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.41 156.29 23.42 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.74 -173.18 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.519 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 40.4 t -58.11 140.09 53.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.675 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.13 145.3 51.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -138.68 123.21 18.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.273 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 97.1 m -129.98 129.26 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.971 0.415 . . . . 0.0 111.246 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.27 132.16 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.348 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 47' ' ' THR . . . . . 0.407 HG21 ' HD3' ' F' ' 72' ' ' PRO . 1.0 OUTLIER -81.76 -50.52 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.813 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -132.38 -153.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.32 56.38 12.18 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.472 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 50.35 -173.93 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.642 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.71 -54.51 1.31 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -160.77 -78.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.565 0.221 . . . . 0.0 110.618 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -129.46 126.47 38.79 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.094 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 71.3 m -100.26 126.21 46.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.51 137.69 46.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 62.9 m -132.53 103.81 6.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 40.2 t -108.57 110.8 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.89 174.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.58 -161.43 51.01 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 52.66 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 110.737 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.92 -33.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.17 105.53 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -95.0 103.97 15.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.607 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -120.11 133.77 55.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.545 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -161.19 0.11 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.15 -54.23 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.649 0.261 . . . . 0.0 110.885 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.21 -100.84 1.18 Allowed Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.505 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 68' ' ' THR . . . . . 0.409 HG22 ' HB2' ' F' ' 96' ' ' SER . 20.0 p -115.6 112.87 22.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.573 0.225 . . . . 0.0 110.529 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.1 152.38 5.07 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.374 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 97.1 p -112.34 121.23 44.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.353 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.8 173.98 6.6 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.726 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 72' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 87.8 Cg_exo -45.07 172.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.715 2.277 . . . . 0.0 113.267 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 73' ' ' GLN . . . . . 0.408 ' H ' ' H ' ' G' ' 74' ' ' GLY . 6.5 mp0 -146.9 110.51 4.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.598 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 74' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' E' ' 73' ' ' GLN . . . 125.21 -79.7 0.36 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.47 -61.5 1.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.786 0.327 . . . . 0.0 110.596 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.73 113.19 0.01 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 77' ' ' SER . . . . . 0.494 ' HG ' ' HA ' ' E' ' 77' ' ' SER . 88.9 p 47.6 91.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.958 0.408 . . . . 0.0 110.758 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 42.3 m -81.79 110.46 17.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.997 0.427 . . . . 0.0 110.991 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.42 -142.57 10.5 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.24 74.45 0.26 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.81 138.85 52.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.842 0.353 . . . . 0.0 110.965 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.61 -45.19 0.69 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.35 132.55 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.777 0.323 . . . . 0.0 110.184 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 70.8 m -128.19 95.14 4.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.52 91.55 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.22 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 59.0 p -147.0 -176.4 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.044 0.449 . . . . 0.0 111.477 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 47.2 t -162.01 141.31 9.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.007 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.28 -175.97 5.35 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.412 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.72 178.25 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 154.9 31.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.244 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.12 -67.64 0.85 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.682 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.68 103.75 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.583 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.56 159.03 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.27 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.42 140.74 51.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -130.96 125.41 33.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.362 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 96' ' ' SER . . . . . 0.409 ' HB2' HG22 ' F' ' 68' ' ' THR . 11.8 t 59.22 -166.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.518 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.38 141.01 51.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.553 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m 56.11 94.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.782 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.39 156.3 23.41 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.78 -173.16 2.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.604 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 40.4 t -58.02 140.06 53.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.699 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.17 145.36 51.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 44.0 t -138.62 123.27 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.234 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -129.9 129.1 43.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.95 0.405 . . . . 0.0 111.345 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.21 132.11 15.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.385 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 47' ' ' THR . . . . . 0.408 HG21 ' HD3' ' G' ' 72' ' ' PRO . 1.0 OUTLIER -81.79 -50.53 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.791 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 15.8 t -132.39 -153.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.33 56.31 12.39 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.487 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 50.55 -173.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.528 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.94 -54.51 1.29 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -160.75 -79.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.599 0.238 . . . . 0.0 110.622 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 70.9 m -129.32 126.37 38.8 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.086 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.14 126.19 46.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.544 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.48 137.6 47.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.752 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 62.4 m -132.48 103.91 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.486 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.69 110.8 22.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.715 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.85 174.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.37 51.3 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.53 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.991 0.424 . . . . 0.0 110.732 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 4.3 t -171.87 -33.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.432 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -122.99 105.44 9.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.83 103.95 15.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.15 133.47 55.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.768 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.86 -161.23 0.11 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -53.96 15.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.619 0.247 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.92 -100.7 1.19 Allowed Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.486 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 68' ' ' THR . . . . . 0.411 HG22 ' HB2' ' G' ' 96' ' ' SER . 20.0 p -115.83 112.76 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.666 0.27 . . . . 0.0 110.598 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.01 152.38 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.386 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -112.3 121.19 44.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.401 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.66 173.96 6.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.821 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 72' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' H' ' 72' ' ' PRO . 87.5 Cg_exo -45.09 172.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.659 2.239 . . . . 0.0 113.323 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 73' ' ' GLN . . . . . 0.409 ' H ' ' H ' ' H' ' 74' ' ' GLY . 6.5 mp0 -146.83 110.54 4.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.635 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 74' ' ' GLY . . . . . 0.408 ' H ' ' H ' ' F' ' 73' ' ' GLN . . . 125.2 -79.64 0.36 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 -178.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.54 -61.6 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.78 0.324 . . . . 0.0 110.615 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.87 113.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 77' ' ' SER . . . . . 0.496 ' HA ' ' HG ' ' H' ' 77' ' ' SER . 90.4 p 47.62 91.71 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.933 0.397 . . . . 0.0 110.726 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 42.6 m -81.76 110.36 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.388 . . . . 0.0 110.92 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.39 -142.49 10.47 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.05 74.67 0.24 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.94 138.86 53.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.971 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.64 -45.28 0.69 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.4 132.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 70.3 m -128.19 95.22 4.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.52 91.45 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.256 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 58.8 p -146.89 -176.47 5.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 111.532 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -161.96 141.41 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.953 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.25 -175.94 5.35 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.38 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.74 178.24 4.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.31 154.91 31.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.313 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -67.6 0.85 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.707 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.66 103.74 0.18 Allowed Glycine 0 CA--C 1.525 0.68 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.575 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.52 159.1 21.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.594 0.235 . . . . 0.0 110.397 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.4 140.81 51.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -131.03 125.36 33.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.274 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 96' ' ' SER . . . . . 0.411 ' HB2' HG22 ' G' ' 68' ' ' THR . 11.8 t 59.25 -166.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.517 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.483 179.917 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -127.37 141.07 51.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.606 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 50.7 m 56.02 94.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.38 156.31 23.41 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.8 -173.09 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.542 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 40.4 t -58.21 140.17 53.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.686 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.23 145.31 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -138.65 123.25 18.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.275 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -129.83 129.13 43.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.87 0.367 . . . . 0.0 111.373 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.27 132.04 15.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.381 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 47' ' ' THR . . . . . 0.406 HG21 ' HD3' ' H' ' 72' ' ' PRO . 1.0 OUTLIER -81.71 -50.58 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.767 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 15.6 t -132.4 -153.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.37 56.3 12.38 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.3 -0.952 . . . . 0.0 111.551 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 50.47 -173.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.549 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.89 -54.48 1.29 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.74 -78.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.542 0.211 . . . . 0.0 110.624 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -129.36 126.48 39.0 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.037 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.31 126.18 46.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.547 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.47 137.7 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m -132.6 103.95 6.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.485 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.66 110.79 22.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.93 174.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.72 -161.39 51.37 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.54 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.788 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.9 -33.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.382 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.02 105.42 9.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.536 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.9 103.95 15.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.19 133.54 55.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.799 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.83 -161.31 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -54.04 14.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.644 0.259 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.01 -100.77 1.19 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 68' ' ' THR . . . . . 0.411 HG22 ' HB2' ' H' ' 96' ' ' SER . 20.0 p -115.75 112.84 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.623 0.249 . . . . 0.0 110.627 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.09 152.27 5.04 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.366 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 97.1 p -112.14 121.13 44.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.62 173.94 6.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.843 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 85.6 Cg_exo -45.08 172.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.56 2.174 . . . . 0.0 113.365 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 73' ' ' GLN . . . . . 0.407 ' H ' ' H ' ' I' ' 74' ' ' GLY . 6.5 mp0 -146.86 110.62 4.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.649 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 74' ' ' GLY . . . . . 0.409 ' H ' ' H ' ' G' ' 73' ' ' GLN . . . 125.18 -79.73 0.36 Allowed Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.48 -61.47 1.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.87 0.367 . . . . 0.0 110.732 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.8 113.24 0.01 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 77' ' ' SER . . . . . 0.496 ' HG ' ' HA ' ' G' ' 77' ' ' SER . 90.4 p 47.56 91.78 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.986 0.422 . . . . 0.0 110.693 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 42.2 m -81.73 110.44 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.932 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.46 -142.49 10.45 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.1 74.66 0.24 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.94 138.87 53.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.935 0.398 . . . . 0.0 110.936 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.6 -45.23 0.69 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.39 132.58 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.741 0.305 . . . . 0.0 110.247 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.23 95.09 4.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.619 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.49 91.52 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.293 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 58.7 p -146.92 -176.44 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.499 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -161.96 141.34 9.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.984 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.29 -176.09 5.42 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.326 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.63 178.26 4.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.32 154.9 31.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.324 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.2 -67.67 0.84 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.657 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.62 103.78 0.18 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.583 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.66 158.98 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.665 0.269 . . . . 0.0 110.363 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.29 140.83 51.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -131.09 125.36 32.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.295 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 96' ' ' SER . . . . . 0.411 ' HB2' HG22 ' H' ' 68' ' ' THR . 11.8 t 59.27 -166.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.526 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -127.48 141.01 51.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.46 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m 56.1 94.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.33 156.38 23.42 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.68 -172.72 2.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.743 0.306 . . . . 0.0 110.581 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -58.54 140.27 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.613 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -131.34 145.32 51.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.788 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -138.6 123.17 18.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.339 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 99.7 m -129.98 129.1 43.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 0.0 111.315 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.19 132.51 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.342 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 47' ' ' THR . . . . . 0.405 HG21 ' HD3' ' I' ' 72' ' ' PRO . 1.0 OUTLIER -82.34 -50.95 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.588 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -131.93 -153.16 0.54 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.46 56.25 12.37 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.478 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 50.6 -173.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.528 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.14 -54.69 1.25 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.48 -78.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.644 0.259 . . . . 0.0 110.608 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 71.1 m -129.22 127.36 41.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 72.2 m -101.12 126.03 47.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.389 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.52 137.78 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.63 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -132.49 103.96 6.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.457 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 40.0 t -108.82 110.8 22.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.683 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.88 174.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.75 -161.38 51.46 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.55 -177.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 4.5 t -171.97 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.384 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -123.02 105.43 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.88 103.97 15.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -120.06 133.75 55.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.709 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.99 -161.12 0.11 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.37 -53.98 15.62 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.702 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.05 -100.73 1.19 Allowed Glycine 0 CA--C 1.524 0.613 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.385 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 68' ' ' THR . . . . . 0.413 HG22 ' HB2' ' I' ' 96' ' ' SER . 20.4 p -115.79 112.86 22.61 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.249 -0.18 . . . . 0.0 110.583 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.1 152.31 5.05 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.242 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 97.2 p -112.03 122.1 46.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.223 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.33 173.71 6.88 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.609 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 72' ' ' PRO . . . . . 0.405 ' HD3' HG21 ' I' ' 47' ' ' THR . 89.1 Cg_exo -45.29 172.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.621 2.214 . . . . 0.0 113.243 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -146.95 110.91 5.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.674 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 74' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' H' ' 73' ' ' GLN . . . 125.2 -79.61 0.36 Allowed Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.15 -61.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.467 . . . . 0.0 110.618 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.02 113.4 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 77' ' ' SER . . . . . 0.492 ' HG ' ' HA ' ' H' ' 77' ' ' SER . 92.3 p 47.49 91.85 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.907 0.384 . . . . 0.0 110.67 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 43.9 m -81.53 110.49 16.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.014 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.5 -142.36 10.37 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.23 74.59 0.24 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.94 139.19 52.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.029 0.442 . . . . 0.0 110.927 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.49 -45.21 0.7 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.37 132.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.702 0.287 . . . . 0.0 110.273 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -128.15 95.27 4.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.559 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -115.56 91.47 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.19 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 60.9 p -147.08 -177.21 5.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.07 0.462 . . . . 0.0 111.482 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -161.21 141.53 10.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.021 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.45 -176.39 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.278 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 22.2 t -169.33 178.34 4.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.26 154.7 31.12 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.307 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.27 -67.62 0.85 Allowed 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.599 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.7 103.51 0.18 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.39 -0.909 . . . . 0.0 111.504 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.4 158.85 21.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.7 0.285 . . . . 0.0 110.488 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -129.31 140.78 51.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.07 125.26 32.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.326 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 96' ' ' SER . . . . . 0.413 ' HB2' HG22 ' I' ' 68' ' ' THR . 11.8 t 59.3 -166.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.542 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.487 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.2 p . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.13 90.23 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.2 m -117.85 150.62 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.57 -99.95 0.71 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -143.93 164.18 31.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.953 0.406 . . . . 0.0 110.716 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.3 t -136.2 144.22 44.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.475 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.24 -170.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.67 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.87 140.31 58.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -124.9 129.53 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.425 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -148.76 126.5 11.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.359 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.5 m -67.78 -59.27 3.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.027 0.441 . . . . 0.0 111.402 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.3 t -132.63 -163.77 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.802 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.88 67.96 1.89 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 34.79 79.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.028 0.487 . . . . 0.0 111.621 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.57 -62.65 4.67 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.41 78.46 1.64 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.817 0.342 . . . . 0.0 110.15 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 t -133.75 129.25 36.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.924 0.393 . . . . 0.0 110.993 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.0 m -119.32 151.34 38.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.51 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.65 128.54 54.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.7 m -139.34 34.81 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -70.0 161.88 29.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -125.63 148.46 48.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.612 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.01 -155.67 50.97 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.91 130.39 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.49 111.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.709 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.08 122.36 24.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.47 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.49 105.06 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.595 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -120.34 129.46 53.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.411 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.96 -163.68 0.63 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.97 -55.67 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 0.0 110.954 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.27 -100.07 1.25 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -111.63 111.04 21.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 0.0 110.38 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.62 167.75 15.1 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.385 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.76 125.66 42.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.632 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 173.49 6.71 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.929 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' B' ' 72' ' ' PRO . 83.2 Cg_exo -44.5 167.39 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.463 2.109 . . . . 0.0 113.278 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.42 ' H ' ' H ' ' B' ' 74' ' ' GLY . 89.5 mm-40 -140.86 111.43 6.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.956 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.01 -84.84 0.37 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -59.04 1.93 Allowed 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.666 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.67 102.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.84 119.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.5 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m -109.65 100.03 9.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.802 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.86 -147.27 16.13 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.04 72.53 0.43 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -51.64 141.41 16.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.642 0.258 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.52 -47.57 0.67 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.74 0.305 . . . . 0.0 110.306 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.6 m -132.8 93.64 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.58 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.47 97.42 6.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.201 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.5 m -146.42 -179.84 7.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.993 0.425 . . . . 0.0 111.08 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -160.51 126.38 4.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.267 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -141.83 -178.32 5.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.713 0.292 . . . . 0.0 110.546 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -170.59 161.11 7.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.775 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.0 t -163.94 140.68 6.76 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.782 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -142.69 76.55 1.54 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.29 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.72 52.24 0.08 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -97.59 112.74 24.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.695 0.283 . . . . 0.0 110.809 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.12 125.44 33.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.369 . . . . 0.0 110.951 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.38 105.18 8.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.228 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.96 167.81 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.579 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.576 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 55.9 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.17 90.21 4.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.6 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.4 m -117.82 150.64 38.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.544 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.6 -100.05 0.71 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -143.79 164.22 31.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.786 0.327 . . . . 0.0 110.818 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 43.3 t -136.17 144.35 44.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.33 -170.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.635 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.88 140.35 58.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -124.95 129.59 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.431 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.82 126.52 11.77 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -67.84 -59.74 3.06 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.361 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.19 -163.55 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.68 68.67 1.56 Allowed Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.92 79.26 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.017 0.48 . . . . 0.0 111.67 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.81 -62.71 4.7 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.25 78.39 1.64 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.778 0.323 . . . . 0.0 110.254 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.6 t -133.79 128.77 35.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.114 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.75 151.48 37.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.6 128.59 54.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -139.41 34.82 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.499 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.1 p -69.99 161.88 29.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.614 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.57 148.51 48.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.506 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.97 -155.67 51.01 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.9 130.49 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.61 110.71 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.685 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.79 122.38 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.571 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.45 104.89 16.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.7 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -120.17 129.6 54.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.478 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.17 -163.63 0.67 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.09 -55.62 11.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.668 0.271 . . . . 0.0 110.907 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.38 -100.32 1.27 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 22.0 p -111.23 110.89 21.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.699 0.285 . . . . 0.0 110.444 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.5 167.9 15.21 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.449 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.84 125.48 41.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.661 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.91 173.65 6.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.833 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 89.1 Cg_exo -44.35 169.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.567 2.178 . . . . 0.0 113.066 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.435 ' H ' ' H ' ' C' ' 74' ' ' GLY . 89.1 mm-40 -142.67 110.56 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.938 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLY . . . . . 0.42 ' H ' ' H ' ' A' ' 73' ' ' GLN . . . 123.03 -84.67 0.37 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.404 ' CZ ' ' OG ' ' B' ' 86' ' ' SER . 0.1 OUTLIER -95.83 -59.19 1.91 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.672 0.272 . . . . 0.0 110.675 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.95 103.19 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.47 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.55 100.06 9.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.8 -146.57 15.29 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.77 72.61 0.41 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.74 141.75 16.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.905 0.383 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.57 0.67 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.13 131.07 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.697 0.284 . . . . 0.0 110.308 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -132.77 93.76 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.41 97.31 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.282 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' SER . . . . . 0.404 ' OG ' ' CZ ' ' B' ' 75' ' ' TYR . 49.9 m -146.31 -179.97 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 111.204 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.45 126.29 4.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.348 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.77 -178.4 5.65 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.696 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.4 p -170.43 161.05 7.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.819 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 40.4 t -163.7 140.77 7.1 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.93 78.22 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.61 52.28 0.07 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.62 112.72 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.18 125.5 33.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.95 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.13 8.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.226 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.96 167.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.532 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 63.1 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.575 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.12 90.11 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 71.0 m -117.76 150.69 38.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.495 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.71 -100.05 0.72 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -143.78 164.25 31.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.825 0.345 . . . . 0.0 110.796 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 43.3 t -136.2 144.29 44.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.556 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.25 -170.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.66 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.98 140.32 58.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.3 m -124.83 129.55 50.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -148.81 126.57 11.81 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 23.3 m -67.82 -59.79 3.03 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.43 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.27 -163.56 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.799 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.7 68.77 1.52 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.75 79.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.03 0.488 . . . . 0.0 111.733 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.83 -62.71 4.71 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -141.26 78.41 1.64 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 16.7 t -133.82 128.67 35.19 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.178 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 68.6 m -118.72 151.5 37.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.511 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.56 128.63 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -139.47 34.71 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.493 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -69.98 161.91 29.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.6 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.64 148.48 48.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.549 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.0 -155.55 50.87 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -66.96 130.47 43.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.514 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.59 110.71 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.684 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.71 122.34 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.552 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.5 105.02 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -120.15 129.6 54.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.478 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.19 -163.58 0.67 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.08 -55.72 11.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.676 0.274 . . . . 0.0 110.854 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.4 -100.27 1.26 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -111.35 110.94 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.702 0.287 . . . . 0.0 110.405 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.46 167.97 15.22 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.41 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -126.91 125.56 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.533 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.08 173.74 6.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.732 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 72' ' ' PRO . . . . . 0.421 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 89.4 Cg_exo -44.34 169.11 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.578 2.185 . . . . 0.0 113.005 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 73' ' ' GLN . . . . . 0.431 ' H ' ' H ' ' D' ' 74' ' ' GLY . 88.9 mm-40 -142.75 110.51 5.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.925 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 74' ' ' GLY . . . . . 0.435 ' H ' ' H ' ' B' ' 73' ' ' GLN . . . 123.04 -84.66 0.37 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 75' ' ' TYR . . . . . 0.406 ' CZ ' ' OG ' ' C' ' 86' ' ' SER . 0.1 OUTLIER -95.85 -59.16 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.623 0.249 . . . . 0.0 110.714 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.02 103.18 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.61 99.96 9.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.71 -146.69 15.55 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 72.52 0.42 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.76 141.81 16.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.39 -47.51 0.68 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 110.344 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.81 93.66 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.547 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.3 97.28 6.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.325 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 86' ' ' SER . . . . . 0.406 ' OG ' ' CZ ' ' C' ' 75' ' ' TYR . 50.0 m -146.31 -179.94 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.167 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -160.43 126.25 4.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.334 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.69 -178.36 5.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.729 0.299 . . . . 0.0 110.671 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.9 p -170.47 161.02 7.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.801 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.8 140.7 6.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.981 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.9 78.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.041 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.5 52.33 0.07 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -97.56 112.6 24.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.712 0.292 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.06 125.47 33.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.004 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.41 105.15 8.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.246 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.94 167.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 62.9 t80 . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.523 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.18 90.14 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -117.8 150.66 38.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.559 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.7 -100.05 0.72 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -143.77 164.16 31.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.804 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 43.1 t -136.19 144.33 44.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.509 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.36 -170.5 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.678 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -63.0 140.41 58.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -124.95 129.47 50.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.523 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.67 126.53 11.9 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.642 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 22.9 m -67.96 -59.42 3.28 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.37 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.52 -163.58 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.886 0.374 . . . . 0.0 110.772 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.76 68.83 1.49 Allowed Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.94 79.4 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.964 0.449 . . . . 0.0 111.481 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.03 -62.59 4.87 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -141.31 78.39 1.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.831 0.348 . . . . 0.0 110.225 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 17.2 t -133.88 128.73 35.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.226 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.65 151.43 37.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.5 128.54 54.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.523 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 45.3 m -139.42 34.82 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.507 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.97 161.86 29.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.617 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.57 148.48 48.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.03 -155.63 50.91 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.83 130.45 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.743 0.306 . . . . 0.0 110.464 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 28.3 t -170.61 110.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.664 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.71 122.5 24.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.456 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.66 105.01 16.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -120.43 129.36 53.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.644 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.95 -163.57 0.61 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.27 -55.15 13.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.633 0.254 . . . . 0.0 110.93 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.86 -100.04 1.27 Allowed Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.45 110.5 20.97 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.748 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.28 168.03 15.49 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.426 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.83 125.63 42.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.18 173.62 6.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.748 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' C' ' 72' ' ' PRO . 89.2 Cg_exo -44.2 169.06 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.626 2.217 . . . . 0.0 113.052 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 73' ' ' GLN . . . . . 0.466 ' H ' ' H ' ' E' ' 74' ' ' GLY . 89.0 mm-40 -142.75 110.45 5.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.936 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 74' ' ' GLY . . . . . 0.431 ' H ' ' H ' ' C' ' 73' ' ' GLN . . . 123.05 -84.52 0.37 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 75' ' ' TYR . . . . . 0.406 ' CZ ' ' OG ' ' D' ' 86' ' ' SER . 0.1 OUTLIER -95.87 -59.27 1.89 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.662 0.268 . . . . 0.0 110.721 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.03 103.12 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.68 119.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 0.0 110.505 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.31 99.88 9.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.82 -146.76 15.49 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.91 72.66 0.41 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -51.84 141.75 16.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.49 -47.52 0.67 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.07 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.681 0.276 . . . . 0.0 110.31 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.73 93.71 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.486 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.4 97.42 6.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.22 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 86' ' ' SER . . . . . 0.406 ' OG ' ' CZ ' ' D' ' 75' ' ' TYR . 50.0 m -146.38 179.99 7.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.943 0.401 . . . . 0.0 111.121 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.36 126.27 4.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.368 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.78 -178.4 5.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.704 0.288 . . . . 0.0 110.681 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.3 p -170.39 161.04 7.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 110.759 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.76 140.53 6.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.86 78.59 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.99 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.4 52.39 0.07 OUTLIER Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.68 112.58 24.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.09 125.46 33.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.881 0.372 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.38 105.24 8.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.183 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.87 167.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.58 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 62.8 t80 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.471 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -100.93 89.65 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.771 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 70.2 m -117.5 150.51 38.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.563 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.45 -100.02 0.7 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -143.89 164.26 31.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.832 0.348 . . . . 0.0 110.708 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 43.2 t -136.19 144.34 44.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.535 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.3 -170.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.669 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 37.8 t -62.96 140.3 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -124.91 129.68 50.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.451 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -149.1 127.67 12.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.738 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m -72.45 -54.79 8.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 118.641 -1.224 . . . . 0.0 112.054 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 5.9 t -130.99 -162.96 1.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.207 0.527 . . . . 0.0 111.427 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.18 69.91 1.16 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 31.25 81.92 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 O-C-N 124.551 0.795 . . . . 0.0 110.802 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.35 -64.24 3.77 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -140.76 80.03 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.974 0.416 . . . . 0.0 109.969 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 16.9 t -134.74 128.72 33.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 69.2 m -118.83 151.65 37.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.233 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.7 128.57 54.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 46.0 m -139.36 34.78 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -69.96 161.9 29.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.61 148.48 48.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.95 -155.69 51.04 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.85 130.51 43.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.516 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.62 110.79 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.684 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.84 122.29 23.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.42 104.59 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.739 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -119.97 129.6 54.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.287 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.89 -163.66 0.61 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.0 -56.27 9.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.649 0.261 . . . . 0.0 110.896 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.93 -100.46 1.24 Allowed Glycine 0 N--CA 1.464 0.55 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 21.7 p -111.31 110.51 21.02 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.692 0.29 . . . . 0.0 110.39 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.35 168.08 15.31 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.166 -0.614 . . . . 0.0 111.416 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 66.5 m -127.06 126.16 42.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.52 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.72 173.57 6.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 124.661 1.226 . . . . 0.0 109.392 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 88.1 Cg_exo -44.55 169.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 122.6 2.2 . . . . 0.0 112.857 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 73' ' ' GLN . . . . . 0.443 ' H ' ' H ' ' F' ' 74' ' ' GLY . 88.9 mm-40 -142.42 114.0 7.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.281 178.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 74' ' ' GLY . . . . . 0.466 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 120.81 -85.66 0.39 Allowed Glycine 0 CA--C 1.533 1.182 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' E' ' 86' ' ' SER . 0.1 OUTLIER -95.44 -58.56 2.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.002 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.73 103.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.52 120.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.063 0.459 . . . . 0.0 110.299 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.4 99.69 8.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.063 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.68 -146.47 15.32 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.6 72.89 0.37 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -52.21 141.09 19.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.86 -44.85 0.77 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 168.84 131.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.145 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -132.86 93.2 3.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.628 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -113.87 96.42 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.401 0.438 . . . . 0.0 110.29 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' E' ' 75' ' ' TYR . 49.4 m -145.89 179.92 7.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 0.0 111.165 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -160.42 126.44 4.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.404 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -142.13 -178.54 5.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.52 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 96.4 p -170.02 161.11 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.796 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 40.6 t -162.93 141.05 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.11 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.74 77.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.154 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.32 51.66 0.08 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -96.28 112.4 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -130.94 125.62 33.91 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.035 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.19 105.48 8.59 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.721 0.638 . . . . 0.0 109.755 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.81 167.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.754 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 63.2 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.556 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 56.2 p . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.1 90.2 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -117.86 150.64 38.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.516 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.62 -100.07 0.71 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -143.89 164.17 31.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.788 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 43.1 t -136.14 144.38 45.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.502 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.4 -170.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.588 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 37.0 t -63.03 140.3 58.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -124.81 129.65 50.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.457 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -148.88 126.67 11.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.656 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -67.82 -59.81 3.01 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.364 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.27 -163.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.803 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.56 69.04 1.4 Allowed Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.61 79.28 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.912 0.419 . . . . 0.0 111.747 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.74 -62.8 4.61 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.409 -1.077 . . . . 0.0 110.409 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -141.26 78.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 0.0 110.249 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 16.8 t -133.83 128.68 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.138 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -118.69 151.49 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.501 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.56 128.51 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.522 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -139.43 35.0 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.45 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -70.07 161.92 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -125.64 148.5 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.96 -155.64 50.99 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.86 130.5 43.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.433 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.6 110.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.662 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.9 122.55 24.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.457 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.66 104.83 16.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.72 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -119.9 129.92 54.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.2 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.4 -163.46 0.7 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.02 -56.07 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.684 0.278 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.58 -100.32 1.25 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 21.8 p -111.11 111.05 21.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.668 0.27 . . . . 0.0 110.335 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.55 168.02 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.464 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 65.9 m -126.92 125.53 41.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.614 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.06 173.65 6.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.758 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 72' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 88.8 Cg_exo -44.23 169.09 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.692 2.261 . . . . 0.0 113.036 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 73' ' ' GLN . . . . . 0.438 ' H ' ' H ' ' G' ' 74' ' ' GLY . 88.9 mm-40 -142.8 110.4 5.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.904 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 74' ' ' GLY . . . . . 0.443 ' H ' ' H ' ' E' ' 73' ' ' GLN . . . 123.15 -84.81 0.37 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 75' ' ' TYR . . . . . 0.41 ' CZ ' ' OG ' ' F' ' 86' ' ' SER . 0.1 OUTLIER -95.6 -59.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.625 0.25 . . . . 0.0 110.663 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.07 103.26 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.43 120.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.378 . . . . 0.0 110.488 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.46 100.03 9.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.79 -146.71 15.46 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.84 72.56 0.42 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.72 141.79 16.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.935 0.398 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.54 0.68 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.03 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.743 0.306 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 18.6 m -132.74 93.65 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.35 97.35 6.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 86' ' ' SER . . . . . 0.41 ' OG ' ' CZ ' ' F' ' 75' ' ' TYR . 50.0 m -146.36 179.98 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 111.121 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -160.38 126.33 4.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.338 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.75 -178.31 5.6 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 120.696 0.284 . . . . 0.0 110.714 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -170.47 161.08 7.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.748 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.89 140.74 6.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.988 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.86 78.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.851 -0.339 . . . . 0.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.33 52.37 0.07 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.69 112.58 24.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.712 0.291 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.07 125.46 33.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.964 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.17 8.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.21 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.9 167.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.618 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 t80 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.555 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.18 90.17 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -117.78 150.58 38.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.59 -100.04 0.71 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -143.84 164.12 31.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.795 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 43.1 t -136.16 144.34 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.545 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.22 -170.55 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.694 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -62.94 140.21 58.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.803 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.9 m -124.78 129.54 50.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.502 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -148.77 126.49 11.79 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.588 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -67.85 -59.78 3.03 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.358 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.33 -163.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.714 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.72 68.78 1.51 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 33.84 79.29 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.974 0.455 . . . . 0.0 111.753 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.9 -62.68 4.76 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.31 78.4 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.799 0.333 . . . . 0.0 110.168 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 16.6 t -133.86 128.7 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.092 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -118.7 151.5 37.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.574 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.55 128.43 54.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 46.0 m -139.32 34.91 2.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.491 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 83.1 p -70.03 161.87 29.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -125.61 148.42 48.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.09 -155.65 50.83 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.9 130.42 43.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.53 110.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.84 122.42 24.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.541 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.53 104.96 16.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 93.3 m -120.06 129.59 54.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.462 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.23 -163.48 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.12 -55.75 11.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.708 0.289 . . . . 0.0 110.893 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.35 -100.34 1.27 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.23 110.86 21.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.671 0.272 . . . . 0.0 110.435 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.4 168.01 15.28 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.487 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 65.7 m -126.88 125.6 41.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.616 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.09 173.64 6.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.799 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 72' ' ' PRO . . . . . 0.42 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 89.2 Cg_exo -44.25 169.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.612 2.208 . . . . 0.0 112.992 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 73' ' ' GLN . . . . . 0.44 ' H ' ' H ' ' H' ' 74' ' ' GLY . 88.6 mm-40 -142.78 110.38 5.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.956 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 74' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' F' ' 73' ' ' GLN . . . 123.19 -84.6 0.37 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 75' ' ' TYR . . . . . 0.41 ' CZ ' ' OG ' ' G' ' 86' ' ' SER . 0.1 OUTLIER -95.8 -59.35 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.665 0.269 . . . . 0.0 110.619 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.12 103.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 110.476 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.51 99.96 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.75 -146.61 15.39 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 72.56 0.42 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -51.69 141.75 16.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.42 -47.53 0.68 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.09 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.669 0.271 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -132.76 93.64 3.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.548 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.36 97.33 6.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.293 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 86' ' ' SER . . . . . 0.41 ' OG ' ' CZ ' ' G' ' 75' ' ' TYR . 50.2 m -146.28 -179.9 7.06 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.149 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.48 126.27 4.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.294 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.76 -178.35 5.62 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 95.8 p -170.43 161.07 7.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.789 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 40.2 t -163.77 140.75 7.0 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.99 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.98 78.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.27 52.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.67 112.57 24.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.04 125.46 33.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.39 105.13 8.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.199 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.95 167.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.438 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 56.5 p . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.16 90.26 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 70.8 m -117.83 150.65 38.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.581 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.67 -99.99 0.72 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -143.86 164.23 31.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 110.737 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 43.2 t -136.21 144.33 44.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.572 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.31 -170.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.664 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 37.4 t -62.96 140.25 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -124.79 129.64 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.435 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -148.88 126.61 11.78 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.55 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 23.2 m -67.97 -59.77 3.01 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.326 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.27 -163.53 1.35 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.913 0.387 . . . . 0.0 110.708 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.67 68.78 1.52 Allowed Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 33.81 79.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.014 0.479 . . . . 0.0 111.697 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.79 -62.77 4.66 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.24 78.43 1.64 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.786 0.327 . . . . 0.0 110.213 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 17.0 t -133.9 128.59 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.122 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.64 151.56 37.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.59 128.48 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 46.2 m -139.36 34.79 2.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.98 161.93 29.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -125.62 148.45 48.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.98 -155.65 50.98 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.91 130.49 43.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.8 0.334 . . . . 0.0 110.455 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.59 110.72 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.727 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.7 122.36 23.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.572 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.56 104.96 16.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.682 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 94.1 m -120.14 129.71 54.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.387 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.31 -163.49 0.68 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.17 -55.69 11.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.617 0.246 . . . . 0.0 110.896 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.37 -100.41 1.28 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.27 110.9 21.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.638 0.256 . . . . 0.0 110.43 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.46 168.02 15.16 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.42 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 66.0 m -126.88 125.55 41.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.616 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.04 173.61 6.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.716 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 88.7 Cg_exo -44.3 169.19 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 122.612 2.208 . . . . 0.0 113.045 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 73' ' ' GLN . . . . . 0.439 ' H ' ' H ' ' I' ' 74' ' ' GLY . 88.7 mm-40 -142.85 110.54 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.892 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 74' ' ' GLY . . . . . 0.44 ' H ' ' H ' ' G' ' 73' ' ' GLN . . . 123.19 -84.71 0.37 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' H' ' 86' ' ' SER . 0.1 OUTLIER -95.7 -59.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.633 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.02 103.32 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.42 120.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 0.0 110.489 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.45 99.92 9.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.71 -146.62 15.46 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.86 72.73 0.4 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -51.91 141.83 16.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.964 0.412 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.48 0.68 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.11 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.75 0.31 . . . . 0.0 110.297 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -132.73 93.66 3.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.38 97.34 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.242 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' H' ' 75' ' ' TYR . 49.9 m -146.3 -179.95 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.21 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -160.46 126.27 4.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.36 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.76 -178.33 5.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.703 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 96.1 p -170.51 161.03 7.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 110.789 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.77 140.67 6.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.004 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -142.94 78.88 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.996 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.22 52.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -97.67 112.49 24.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.721 0.296 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.03 125.49 33.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.944 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.37 105.22 8.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.193 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.83 167.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.547 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 56.3 p . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.23 90.32 4.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -117.93 150.55 39.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.529 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.48 -100.11 0.7 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -143.84 164.17 31.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.74 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 43.0 t -136.18 144.3 44.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.51 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.19 -170.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.639 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -62.88 140.31 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.809 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -125.02 129.55 50.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.473 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -148.54 127.83 12.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.548 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 21.9 m -69.43 -59.5 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.084 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 6.6 t -132.61 -163.48 1.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.662 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.63 68.8 1.5 Allowed Glycine 0 CA--C 1.521 0.417 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 33.65 79.82 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.9 0.412 . . . . 0.0 111.598 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.12 -62.84 4.71 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.374 -1.091 . . . . 0.0 110.374 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -141.42 78.77 1.65 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.81 0.338 . . . . 0.0 110.195 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 17.7 t -134.25 128.66 34.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.903 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 68.9 m -118.71 151.5 37.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.517 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.52 128.44 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 47.0 m -139.35 34.89 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.459 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.95 161.89 29.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.63 148.5 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.528 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.92 -155.66 51.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.85 130.42 43.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.751 0.31 . . . . 0.0 110.51 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.53 110.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.692 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.82 122.44 24.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.508 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.7 104.95 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.631 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 94.4 m -120.01 129.81 54.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.419 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.47 -163.32 0.7 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.44 -55.58 12.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.186 -0.206 . . . . 0.0 110.748 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.24 -100.51 1.3 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 22.0 p -111.18 110.87 21.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.47 168.03 15.14 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.279 -0.569 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -126.69 126.15 43.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.509 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.36 173.62 6.57 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.617 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -44.7 169.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.521 2.148 . . . . 0.0 112.897 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -142.98 111.01 6.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.308 -0.86 . . . . 0.0 108.957 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 74' ' ' GLY . . . . . 0.439 ' H ' ' H ' ' H' ' 73' ' ' GLN . . . 123.13 -84.48 0.37 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' I' ' 86' ' ' SER . 0.1 OUTLIER -95.35 -59.72 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.969 0.414 . . . . 0.0 110.602 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.59 103.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.5 120.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.471 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -109.46 99.73 8.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.41 -146.57 15.76 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.89 72.66 0.41 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -51.82 142.05 15.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.96 0.409 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.34 -47.48 0.68 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.14 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.679 0.276 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.75 93.67 3.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.573 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.33 97.21 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.224 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' I' ' 75' ' ' TYR . 50.1 m -146.43 179.55 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.14 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -159.89 126.4 4.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.8 -178.69 5.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 110.692 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -170.21 161.02 8.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 40.2 t -163.77 140.87 7.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.003 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -143.17 80.24 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.21 52.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -97.7 112.5 24.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.684 0.278 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.17 125.47 33.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.13 8.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.247 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.94 167.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.569 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.435 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -67.02 165.61 15.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.658 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.0 m -52.55 97.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.769 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.75 -111.3 0.3 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -56.15 142.21 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.709 0.29 . . . . 0.0 110.62 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.2 p -132.9 21.99 4.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.633 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.63 -163.33 1.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.61 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.7 t -94.8 160.33 14.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -136.53 133.23 36.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.212 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -149.71 127.77 11.96 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.523 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.4 ' OG1' HG22 ' B' ' 47' ' ' THR . 4.9 t -83.17 -38.12 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.2 t -136.98 137.68 39.74 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.693 0.282 . . . . 0.0 110.841 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.35 73.79 0.85 Allowed Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.305 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 28.23 71.51 0.05 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 124.169 0.57 . . . . 0.0 112.44 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.66 93.92 0.06 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.58 92.48 0.08 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.898 0.38 . . . . 0.0 110.071 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -147.47 154.29 40.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.498 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -143.04 146.51 33.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -126.64 137.56 53.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.337 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -144.99 35.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -61.31 148.44 41.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.26 144.88 43.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.52 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.45 -159.77 51.62 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.91 133.63 55.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.448 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 94.2 p -173.01 114.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.668 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.5 122.8 25.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.13 101.09 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.6 m -117.45 128.37 54.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.543 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.01 -162.29 1.07 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.74 -56.43 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.01 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.46 -97.1 1.13 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.4 p -113.34 110.11 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.357 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.37 164.15 17.45 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.612 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.46 121.8 36.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.307 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.8 p -70.16 170.26 10.79 Favored Pre-proline 0 N--CA 1.464 0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.812 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.69 107.18 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.073 1.849 . . . . 0.0 112.185 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -75.2 113.05 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.094 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.92 -92.99 0.22 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.99 -60.12 1.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.174 -0.21 . . . . 0.0 110.819 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.17 108.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.11 101.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.924 0.392 . . . . 0.0 110.885 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 79.3 m -101.15 100.31 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.329 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.01 -143.9 15.68 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.36 76.05 0.16 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -61.36 137.38 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 111.232 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.06 -45.82 0.69 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t 171.42 132.87 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.38 -71.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.351 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.81 81.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.947 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 t -148.08 -176.66 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.5 127.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.109 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -139.65 -176.46 4.56 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.799 0.333 . . . . 0.0 111.056 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.1 t -155.94 160.57 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.833 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.2 t -135.65 130.42 34.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -143.0 95.75 2.82 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.906 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.58 56.42 0.24 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.93 110.85 23.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.729 0.299 . . . . 0.0 110.571 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -141.01 134.65 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.765 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.85 135.53 43.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.163 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.0 p -149.05 162.89 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.515 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.554 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -66.93 165.56 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.619 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.8 m -52.55 97.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.782 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.81 -111.08 0.31 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -56.58 141.98 41.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.846 0.355 . . . . 0.0 110.666 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -132.72 21.85 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.69 -163.39 1.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.584 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 12.3 t -94.79 160.27 14.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -136.56 133.27 36.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.194 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.67 127.79 12.0 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.9 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.41 ' OG1' HG22 ' C' ' 47' ' ' THR . 4.6 t -83.46 -38.04 22.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.84 138.03 40.35 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.86 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 106.68 76.0 0.98 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.985 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' B' ' 49' ' ' GLY . 65.4 m-85 25.99 72.03 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.08 93.98 0.06 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.65 92.39 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.47 154.23 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -143.04 146.54 33.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -126.67 137.41 53.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.393 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 91.8 p -144.81 35.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 70.1 m -61.23 148.47 40.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.27 144.83 43.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.56 -159.76 51.47 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.89 133.61 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 94.1 p -173.0 113.98 0.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.705 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.32 122.76 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.12 101.11 12.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -117.21 128.48 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.17 -162.12 1.1 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.9 -56.45 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.599 0.238 . . . . 0.0 110.881 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -97.45 1.16 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 25.2 p -112.94 110.01 19.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.652 0.263 . . . . 0.0 110.373 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.85 17.41 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.671 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 41.5 t -123.07 121.67 36.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.27 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.4 ' H ' HG23 ' B' ' 71' ' ' THR . 7.0 p -70.16 170.65 9.54 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.83 106.0 0.2 Allowed 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.235 1.956 . . . . 0.0 112.397 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -74.02 113.52 11.29 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.381 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.9 -92.76 0.22 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.95 -60.16 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 110.784 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.34 109.05 0.01 OUTLIER Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.07 101.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.966 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 82.6 m -100.81 100.0 10.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.81 -143.14 14.21 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.08 76.27 0.15 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -61.55 137.62 58.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.08 0.467 . . . . 0.0 111.29 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.04 -45.58 0.7 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.37 132.88 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.4 -71.08 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.343 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.91 81.64 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.965 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.94 -176.53 5.31 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.45 127.6 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.207 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.62 -176.5 4.58 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.235 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.91 160.43 40.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.42 130.35 34.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.513 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -143.17 96.31 2.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.16 56.82 0.24 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.96 110.72 23.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.73 0.3 . . . . 0.0 110.65 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.67 30.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.747 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.87 135.52 43.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.23 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -148.94 163.0 38.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.501 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -66.89 165.63 15.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.66 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 70.0 m -52.52 97.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.67 -111.19 0.3 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -56.52 141.98 40.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.634 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 79.7 p -132.73 21.76 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.649 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.64 -163.41 1.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.583 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 12.3 t -94.79 160.3 14.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.53 133.27 36.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.224 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.67 127.68 11.92 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.937 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' THR . . . . . 0.411 ' OG1' HG22 ' D' ' 47' ' ' THR . 4.5 t -83.52 -37.96 22.38 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -136.82 138.03 40.38 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.857 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 106.58 76.09 0.99 Allowed Glycine 0 CA--C 1.523 0.591 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.997 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' C' ' 49' ' ' GLY . 65.7 m-85 25.9 72.04 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.0 93.88 0.06 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.72 92.32 0.08 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.969 0.414 . . . . 0.0 110.073 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 39.8 t -147.47 154.25 40.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.591 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.07 146.58 33.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.624 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -126.71 137.47 53.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.317 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 91.1 p -144.97 35.28 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -61.37 148.52 41.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.55 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.27 144.9 43.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.43 -159.86 51.71 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.8 133.65 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.455 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 94.4 p -173.04 113.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.735 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.26 122.8 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.467 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.12 101.04 11.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 92.7 m -117.21 128.61 55.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.591 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.24 -162.04 1.11 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.96 -56.49 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.578 0.228 . . . . 0.0 110.858 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.77 -97.51 1.15 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -112.97 110.07 19.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.92 17.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.609 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 41.4 t -123.17 121.64 36.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.231 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.405 ' H ' HG23 ' C' ' 71' ' ' THR . 6.9 p -70.22 170.79 9.17 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.755 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.84 105.82 0.19 Allowed 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 122.326 2.017 . . . . 0.0 112.389 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.9 113.49 11.12 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.402 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.99 -92.78 0.22 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.85 -60.17 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.35 109.06 0.01 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.02 102.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.392 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 82.3 m -100.8 100.08 10.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.431 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.79 -143.19 14.32 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.24 76.21 0.15 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.59 137.59 58.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.103 0.478 . . . . 0.0 111.207 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.05 -45.59 0.7 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.33 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.37 -71.16 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.362 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.9 81.66 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -147.96 -176.61 5.34 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.8 t -171.36 127.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.22 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.49 4.57 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.242 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.87 160.41 40.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.808 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.37 130.31 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.538 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -143.15 96.41 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.001 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.06 56.88 0.24 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -97.04 110.7 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.77 0.319 . . . . 0.0 110.502 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.93 134.68 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.801 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.87 135.55 43.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.221 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -148.93 162.96 38.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.028 -0.986 . . . . 0.0 110.559 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -67.01 165.59 15.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -52.55 97.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.827 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.86 -111.07 0.31 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -56.65 141.94 41.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.867 0.365 . . . . 0.0 110.663 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -132.71 21.8 4.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.697 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -132.59 -163.42 1.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.587 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.78 160.37 14.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.033 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 9.3 t -136.73 133.02 35.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.4 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.53 127.72 12.06 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.917 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 47' ' ' THR . . . . . 0.411 HG22 ' OG1' ' C' ' 47' ' ' THR . 4.6 t -83.52 -38.11 22.18 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.968 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.64 138.09 40.78 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.908 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 106.67 76.16 0.99 Allowed Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.009 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' D' ' 49' ' ' GLY . 65.9 m-85 25.94 72.02 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.22 93.99 0.07 OUTLIER Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.68 92.35 0.08 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.987 0.422 . . . . 0.0 110.112 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.43 154.26 40.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.602 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 47.0 t -143.06 146.53 33.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -126.65 137.32 53.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.403 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 91.6 p -144.86 35.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.566 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -61.39 148.39 41.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.18 144.87 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.43 -159.88 51.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.89 133.64 55.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 110.459 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 93.6 p -173.02 114.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.632 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.3 122.95 25.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.3 100.98 11.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -117.33 128.55 55.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.547 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.17 -162.09 1.1 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.99 -56.23 9.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.482 0.182 . . . . 0.0 110.926 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.43 -97.44 1.17 Allowed Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -113.0 109.85 19.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.586 0.231 . . . . 0.0 110.537 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.31 163.92 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.064 -0.655 . . . . 0.0 111.602 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.07 121.66 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.259 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 71' ' ' THR . . . . . 0.406 ' H ' HG23 ' D' ' 71' ' ' THR . 6.9 p -70.21 170.83 9.04 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.724 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.95 105.91 0.2 Allowed 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.207 1.938 . . . . 0.0 112.45 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.97 113.59 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.309 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.89 -92.8 0.22 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.73 -60.32 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.37 109.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.08 101.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.975 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 84.5 m -100.86 99.95 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.473 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.75 -143.32 14.57 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.23 76.25 0.15 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -61.64 137.84 58.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.1 0.476 . . . . 0.0 111.167 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.91 -45.63 0.7 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.41 132.9 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.714 0.292 . . . . 0.0 110.224 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.34 -71.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.344 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.83 81.72 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.96 -176.56 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -171.44 127.58 0.66 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.246 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.49 4.57 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.2 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.9 160.3 40.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.33 130.34 34.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.469 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -143.32 96.33 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.027 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.19 56.83 0.24 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.94 110.71 23.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.703 0.287 . . . . 0.0 110.586 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.74 30.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.792 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.95 135.53 43.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.186 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -148.98 163.09 38.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.518 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.563 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -66.82 165.58 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 67.5 m -51.93 96.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.483 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.94 -111.47 0.26 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -56.34 141.93 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.624 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 79.9 p -132.66 21.76 4.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.737 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.61 -163.43 1.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.634 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.78 160.26 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -136.57 133.32 36.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.273 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -149.95 128.66 12.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.024 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 47' ' ' THR . . . . . 0.414 ' OG1' HG22 ' F' ' 47' ' ' THR . 4.8 t -84.62 -40.14 17.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.698 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -131.21 137.16 48.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 49' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 108.55 71.66 0.73 Allowed Glycine 0 C--O 1.22 -0.746 0 C-N-CA 118.77 -1.681 . . . . 0.0 112.782 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 50' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' E' ' 49' ' ' GLY . 68.3 m-85 25.31 76.3 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.268 0.627 . . . . 0.0 111.418 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.82 91.97 0.07 OUTLIER Glycine 0 CA--C 1.519 0.3 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 69.51 92.58 0.08 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.013 0.435 . . . . 0.0 110.008 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 40.1 t -147.58 154.27 40.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.54 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 47.2 t -142.87 146.9 34.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.499 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -126.83 137.52 53.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.469 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 90.6 p -144.92 35.27 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 69.9 m -61.36 148.44 41.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.532 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.18 144.81 43.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.6 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.51 -159.79 51.56 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.9 133.7 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 94.4 p -173.11 114.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.651 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.34 122.73 25.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.527 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.16 100.8 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.09 128.47 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.455 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.8 -162.31 1.0 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -56.97 7.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.591 0.234 . . . . 0.0 110.925 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.06 -97.59 1.14 Allowed Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.463 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -113.13 109.73 19.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.089 0.523 . . . . 0.0 110.236 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.2 164.07 17.85 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.63 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 41.3 t -123.46 122.69 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.165 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 7.6 p -71.37 170.83 10.35 Favored Pre-proline 0 CA--C 1.532 0.267 0 O-C-N 124.741 1.276 . . . . 0.0 109.284 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.69 108.34 0.37 Allowed 'Trans proline' 0 N--CA 1.503 2.048 0 C-N-CA 121.62 1.547 . . . . 0.0 111.821 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -75.38 114.39 13.86 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.071 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.33 -92.66 0.22 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.41 -58.92 1.94 Allowed 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.126 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.63 109.98 0.01 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t 55.91 103.13 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.19 0.519 . . . . 0.0 110.704 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 83.7 m -101.21 100.4 10.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.428 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.12 -142.73 13.61 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.16 75.65 0.17 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.384 -0.687 . . . . 0.0 111.384 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -61.64 137.44 58.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.189 0.519 . . . . 0.0 111.186 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.18 -43.61 0.77 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 169.33 133.24 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.03 0.443 . . . . 0.0 110.053 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.54 -71.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.147 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 53.2 81.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.987 0.805 . . . . 0.0 110.832 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.9 -176.65 5.35 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.41 127.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.188 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -139.68 -176.6 4.62 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 121.434 0.635 . . . . 0.0 111.149 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.14 161.38 41.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.813 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 11.0 t -135.7 130.18 33.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -142.39 94.83 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.88 56.7 0.23 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.17 110.55 22.81 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.812 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -140.91 134.73 30.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.754 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -133.61 135.29 44.12 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.836 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -148.71 163.05 38.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.561 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 71.6 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.573 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -66.91 165.55 15.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -52.47 97.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.81 -111.15 0.31 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -56.41 141.83 40.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.788 0.328 . . . . 0.0 110.657 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 79.6 p -132.72 21.84 4.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.643 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.66 -163.46 1.35 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.58 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.83 160.34 14.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -136.52 133.45 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.207 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.84 127.71 11.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.933 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 47' ' ' THR . . . . . 0.414 HG22 ' OG1' ' E' ' 47' ' ' THR . 4.5 t -83.32 -38.23 22.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.964 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.67 138.16 40.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 106.35 76.36 1.02 Allowed Glycine 0 C--O 1.223 -0.534 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.95 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' F' ' 49' ' ' GLY . 65.7 m-85 25.54 72.18 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.11 93.85 0.06 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.74 92.35 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.932 0.396 . . . . 0.0 110.075 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -147.54 154.25 40.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.08 146.54 33.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -126.7 137.4 53.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.436 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 91.1 p -144.83 35.25 1.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.639 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -61.38 148.46 41.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.487 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -115.24 144.83 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.48 -159.86 51.65 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.86 133.68 55.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.443 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 94.0 p -173.02 114.02 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.31 122.8 25.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.478 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.28 101.04 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.16 128.66 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.419 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.26 -161.95 1.1 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -56.66 8.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 110.853 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.76 -97.49 1.15 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 25.4 p -112.88 110.09 19.96 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.43 163.92 17.31 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.568 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.16 121.61 36.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.279 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 71' ' ' THR . . . . . 0.409 ' H ' HG23 ' F' ' 71' ' ' THR . 7.1 p -70.07 170.77 9.05 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.752 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.89 105.83 0.19 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.277 1.985 . . . . 0.0 112.444 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.93 113.7 11.39 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.306 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.78 -92.99 0.22 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.55 -60.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.788 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.39 109.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t 57.04 102.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 82.4 m -100.82 100.19 10.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.414 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.83 -143.24 14.4 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.23 76.2 0.15 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.61 137.53 58.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 111.252 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.04 -45.58 0.7 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.37 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -104.33 -71.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.358 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.96 81.67 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.97 -176.51 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 111.07 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -171.51 127.63 0.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.105 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.62 -176.38 4.53 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 111.254 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.99 160.38 40.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 11.2 t -135.45 130.4 34.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.511 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.16 96.51 2.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.01 56.74 0.25 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.86 110.63 23.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.73 0.3 . . . . 0.0 110.62 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.63 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.764 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.88 135.58 43.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.229 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 87.6 p -148.96 163.01 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.551 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.533 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -66.93 165.6 15.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.613 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 69.8 m -52.52 97.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.767 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.79 -111.21 0.31 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -56.59 141.97 41.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.633 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -132.75 21.9 4.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.626 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.74 -163.48 1.35 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.75 160.26 14.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.031 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.42 133.21 36.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.27 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.72 127.73 11.92 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.911 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 47' ' ' THR . . . . . 0.41 ' OG1' HG22 ' H' ' 47' ' ' THR . 4.5 t -83.62 -38.03 22.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.964 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 43.3 t -136.74 138.13 40.64 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.853 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 106.61 76.05 0.99 Allowed Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.978 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' G' ' 49' ' ' GLY . 65.3 m-85 25.87 72.17 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.13 93.92 0.06 OUTLIER Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.7 92.36 0.08 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.914 0.388 . . . . 0.0 110.098 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.51 154.19 40.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.578 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.03 146.54 33.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.643 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -126.67 137.43 53.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -144.88 35.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.595 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.9 m -61.4 148.54 41.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.519 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.32 144.88 43.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.46 -159.79 51.62 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.97 133.72 55.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 94.6 p -173.02 114.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.683 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.3 122.83 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.29 101.07 11.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.63 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.22 128.54 55.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.26 -162.05 1.12 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -56.49 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.6 0.238 . . . . 0.0 110.861 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.68 -97.48 1.16 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -112.95 110.01 19.8 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.91 17.4 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.613 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 41.5 t -123.09 121.66 36.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.199 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 71' ' ' THR . . . . . 0.415 ' H ' HG23 ' G' ' 71' ' ' THR . 6.9 p -70.21 170.83 9.01 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.724 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.88 105.78 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.258 1.972 . . . . 0.0 112.464 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.83 113.56 11.12 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.424 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.0 -92.88 0.22 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.87 -60.17 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.756 0.312 . . . . 0.0 110.865 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.37 109.09 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.04 102.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 83.7 m -100.85 100.02 10.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.73 -143.19 14.31 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.19 76.16 0.15 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -61.65 137.73 58.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.142 0.496 . . . . 0.0 111.161 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.94 -45.57 0.7 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.38 132.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.696 0.284 . . . . 0.0 110.239 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.29 -71.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.395 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.9 81.61 0.08 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.943 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.93 -176.5 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.201 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -171.44 127.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.16 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.68 -176.44 4.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 111.232 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.92 160.42 40.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.43 130.37 34.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.486 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -143.18 96.51 2.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.02 56.86 0.24 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.98 110.81 23.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.619 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -141.0 134.67 30.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.9 135.52 43.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.223 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 87.6 p -148.95 163.07 38.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.546 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.54 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -66.89 165.59 15.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.642 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -52.54 97.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.748 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.79 -111.06 0.31 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -56.56 141.8 41.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.726 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 79.8 p -132.65 21.85 4.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.663 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.7 -163.5 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.8 0.333 . . . . 0.0 110.525 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.77 160.29 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.49 133.31 36.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.253 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.71 127.7 11.9 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.911 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 47' ' ' THR . . . . . 0.41 HG22 ' OG1' ' G' ' 47' ' ' THR . 4.5 t -83.56 -38.01 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.739 -0.384 . . . . 0.0 112.003 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.82 137.97 40.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 106.73 76.12 0.99 Allowed Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.971 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' H' ' 49' ' ' GLY . 65.6 m-85 25.84 72.13 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.13 93.95 0.06 OUTLIER Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.66 92.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.906 0.384 . . . . 0.0 110.136 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 39.8 t -147.37 154.25 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.559 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 47.4 t -143.01 146.49 33.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.68 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -126.59 137.44 53.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.359 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 89.7 p -144.94 35.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.556 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 70.1 m -61.35 148.46 41.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.23 144.87 43.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.532 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.45 -159.84 51.68 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.86 133.62 55.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.464 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 94.3 p -172.98 114.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.666 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.46 122.82 25.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.438 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.25 101.06 11.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.613 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 92.9 m -117.25 128.55 55.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.18 -161.91 1.07 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.15 -56.39 9.35 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.916 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -97.45 1.16 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -112.99 110.02 19.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.38 163.89 17.43 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.593 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 41.7 t -123.07 121.62 36.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.305 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 6.8 p -70.1 170.86 8.8 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.72 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.93 105.82 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.195 1.93 . . . . 0.0 112.473 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.89 113.65 11.29 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.398 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.94 -92.84 0.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.77 -60.28 1.68 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.47 109.16 0.01 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.04 101.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.989 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 84.0 m -100.73 100.01 10.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.416 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.74 -143.17 14.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.16 76.31 0.15 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.65 137.61 58.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.205 0.526 . . . . 0.0 111.171 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.99 -45.47 0.7 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.33 132.89 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.33 -71.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.382 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.79 81.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -148.0 -176.57 5.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -171.43 127.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.178 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.59 4.61 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.285 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.81 160.4 40.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -135.36 130.33 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.514 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.18 96.49 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.999 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.08 56.78 0.24 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.84 110.62 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.715 0.293 . . . . 0.0 110.653 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.94 134.64 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.803 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.85 135.58 43.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.24 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -148.99 163.05 38.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.549 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.562 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -66.88 165.48 15.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.654 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -52.49 97.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.762 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.73 -110.93 0.3 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -56.88 141.68 44.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.986 0.422 . . . . 0.0 110.676 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 79.7 p -132.62 21.7 4.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.683 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.48 -163.51 1.35 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.606 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.8 160.19 14.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -136.46 133.28 36.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.308 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -149.53 129.26 13.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.79 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 47' ' ' THR . . . . . 0.41 HG22 ' OG1' ' H' ' 47' ' ' THR . 4.6 t -85.4 -38.31 18.84 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.468 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -136.42 138.13 41.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 49' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 106.69 76.09 0.99 Allowed Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.015 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 50' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' I' ' 49' ' ' GLY . 64.4 m-85 25.73 73.35 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.29 93.93 0.08 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.74 92.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.898 0.38 . . . . 0.0 110.071 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.26 154.24 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.529 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 47.0 t -142.99 146.52 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -126.59 137.41 53.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.423 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 91.0 p -144.89 35.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.518 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -61.33 148.46 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.56 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.24 144.78 43.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.55 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.54 -159.76 51.5 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.91 133.59 55.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.463 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 94.0 p -172.98 114.12 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -77.41 122.84 25.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.519 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.33 101.08 11.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -117.03 128.78 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.48 -161.81 1.15 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -56.57 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.739 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.75 -97.67 1.17 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -112.79 110.04 19.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.52 163.98 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.314 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 42.0 t -123.12 122.59 38.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.128 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 7.1 p -71.02 170.91 9.68 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.02 105.93 0.2 Allowed 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 122.3 2.0 . . . . 0.0 112.281 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.93 113.78 11.49 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.408 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.05 -92.72 0.21 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.53 -60.33 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 110.955 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.57 109.37 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.0 102.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 87.5 m -100.54 99.76 10.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.559 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.45 -142.98 13.93 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.14 76.37 0.14 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.62 138.15 58.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.229 0.537 . . . . 0.0 111.052 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.79 -45.45 0.71 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 6.0 t 171.34 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.5 m -104.25 -71.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.336 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.87 81.58 0.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -148.13 -176.98 5.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 111.013 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -171.01 127.65 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.248 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.71 -176.86 4.71 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.133 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 48.2 t -155.54 160.41 40.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t -135.21 130.22 34.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.558 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -143.39 97.07 3.01 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.142 0.496 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 119.64 57.23 0.25 Allowed Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.417 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.87 110.57 23.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.76 0.314 . . . . 0.0 110.73 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -140.98 134.73 30.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.786 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.89 135.54 43.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.177 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -149.0 162.99 38.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.564 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -133.83 -86.8 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.635 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -60.44 145.43 48.25 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.789 0.328 . . . . 0.0 110.54 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.18 138.21 10.11 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.56 -178.06 4.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 110.563 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.7 t -60.55 138.71 58.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.542 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.28 127.34 19.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -131.41 144.39 51.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.1 m -135.19 132.99 38.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -139.12 141.97 38.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.29 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.63 -52.34 1.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -133.71 127.31 32.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.837 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.25 77.18 0.96 Allowed Glycine 0 CA--C 1.527 0.814 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.373 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 34.09 69.84 0.14 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.11 95.23 0.34 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 68.56 97.03 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 0.0 110.518 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.9 p -163.85 168.23 19.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.38 157.15 39.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.33 131.52 51.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.2 149.9 45.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.623 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.87 130.94 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.464 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.53 152.72 6.37 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -174.18 132.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.707 0.289 . . . . 0.0 110.61 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 m -118.59 -22.1 7.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.8 126.98 9.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.635 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -132.46 107.38 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -116.25 129.86 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.11 -161.85 0.49 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.74 -52.49 23.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.7 -111.92 2.43 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -111.24 104.7 13.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.264 0.554 . . . . 0.0 110.194 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -141.46 140.55 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.711 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.7 m -107.05 125.76 51.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.308 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.412 HG22 ' HD2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -84.56 172.94 7.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.069 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HD2' HG22 ' A' ' 71' ' ' THR . 69.4 Cg_exo -47.99 179.3 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.778 2.319 . . . . 0.0 113.909 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.438 ' NE2' ' HB2' ' A' ' 90' ' ' SER . 33.8 mt-30 -147.11 111.76 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.057 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.76 -80.29 0.35 Allowed Glycine 0 CA--C 1.527 0.83 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -123.18 97.05 5.24 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.163 0.506 . . . . 0.0 110.102 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.88 -87.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.317 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -152.16 171.11 18.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.426 . . . . 0.0 111.3 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.0 p -127.95 147.4 50.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.272 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.87 87.6 0.3 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.35 147.25 4.77 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -91.28 55.25 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.042 0.448 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.29 -71.56 0.6 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -166.65 107.94 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 0.0 110.554 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.44 83.31 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.331 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.29 133.18 34.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.709 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -154.73 -175.54 5.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.021 0.439 . . . . 0.0 111.348 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -145.91 119.39 9.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.61 -178.46 7.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -172.22 159.97 4.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.767 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.438 ' HB2' ' NE2' ' A' ' 73' ' ' GLN . 89.0 p -163.38 166.33 23.0 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.793 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.55 76.18 0.19 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.313 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.79 47.72 0.1 OUTLIER Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.75 118.44 34.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.629 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -131.18 123.97 29.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.87 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.352 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.55 55.68 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.439 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.521 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -133.95 -86.79 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.713 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -60.34 145.36 48.05 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.763 0.315 . . . . 0.0 110.544 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.24 138.28 10.14 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.52 -177.86 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.476 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 40.6 t -60.7 138.63 58.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.24 127.34 19.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.3 144.29 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.23 132.79 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -138.73 141.68 38.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.431 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.77 -52.35 1.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.146 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.2 t -133.41 127.76 34.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.775 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.61 79.6 1.16 Allowed Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.0 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.31 70.51 0.09 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.44 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.64 96.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.825 0.345 . . . . 0.0 110.543 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 77.9 p -163.76 168.14 20.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.527 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 92.8 p -153.32 157.18 39.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.598 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.31 131.51 51.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 50.8 m -140.84 23.99 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 70.0 m -71.27 149.99 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.634 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.93 130.98 42.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.443 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.52 152.84 6.44 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.27 132.19 0.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.742 0.306 . . . . 0.0 110.545 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.66 -21.83 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.96 126.86 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.642 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -132.44 107.35 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -116.15 130.0 56.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.624 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.32 -161.75 0.52 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.92 -52.46 24.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 110.731 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.86 -112.19 2.47 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.03 104.59 13.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.994 0.426 . . . . 0.0 110.213 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.42 140.37 33.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.702 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 69.9 m -106.68 125.64 51.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.375 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.415 HG22 ' HD2' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -84.23 173.27 7.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.942 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.415 ' HD2' HG22 ' B' ' 71' ' ' THR . 78.2 Cg_exo -47.75 -178.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.925 2.417 . . . . 0.0 113.777 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.435 ' NE2' ' HB2' ' B' ' 90' ' ' SER . 33.8 mt-30 -149.25 110.75 4.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.053 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.69 -79.99 0.35 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.98 97.04 5.26 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.13 -87.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.479 -0.649 . . . . 0.0 111.479 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -152.05 171.51 17.74 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 66.1 p -128.0 147.77 50.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.223 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.01 87.71 0.3 Allowed Glycine 0 CA--C 1.528 0.844 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.22 147.36 4.8 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -91.14 55.76 2.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.387 . . . . 0.0 110.663 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.57 -71.42 0.58 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.72 107.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.764 0.316 . . . . 0.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.35 83.36 2.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.323 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.31 132.76 34.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.806 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 22.4 m -154.29 -175.5 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.045 0.45 . . . . 0.0 111.343 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -145.85 119.29 9.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.33 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.59 -178.44 7.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 45.9 t -172.17 159.93 5.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.787 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.435 ' HB2' ' NE2' ' B' ' 73' ' ' GLN . 87.7 p -163.36 166.23 23.17 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.012 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.76 78.07 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.19 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.0 47.77 0.09 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.79 118.31 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.322 . . . . 0.0 110.699 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.23 123.86 29.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.672 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.51 129.88 33.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.354 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.6 55.63 6.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.398 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.637 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -133.98 -86.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.664 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 70.7 m -60.24 145.39 47.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.755 0.312 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.27 138.23 10.12 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.57 -177.81 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.497 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 40.7 t -60.62 138.65 58.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.498 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.26 127.25 19.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -131.29 144.2 51.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 92.6 m -135.1 132.79 38.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -138.77 141.64 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.442 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.73 -52.47 1.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.41 127.88 34.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.737 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.51 79.73 1.17 Allowed Glycine 0 CA--C 1.524 0.631 0 C-N-CA 120.411 -0.899 . . . . 0.0 111.998 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.42 70.48 0.09 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.55 95.29 0.37 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.62 96.86 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.901 0.381 . . . . 0.0 110.53 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 78.2 p -163.75 168.27 19.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.507 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.44 157.09 39.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.543 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -126.28 131.56 51.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.84 24.05 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -71.26 149.89 45.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.679 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.75 131.0 42.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.462 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.5 152.78 6.38 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.23 132.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.773 0.321 . . . . 0.0 110.51 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.74 -21.88 7.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.99 126.9 8.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.588 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -132.48 107.34 8.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.12 130.04 56.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.568 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.29 -161.78 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.96 -52.38 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.658 0.265 . . . . 0.0 110.768 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.84 -112.12 2.46 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.12 104.62 13.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.04 0.448 . . . . 0.0 110.173 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.4 140.53 33.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.662 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 70.5 m -106.91 125.63 51.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.319 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.416 HG22 ' HD2' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -84.12 173.31 7.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.92 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 72' ' ' PRO . . . . . 0.416 ' HD2' HG22 ' C' ' 71' ' ' THR . 77.9 Cg_exo -47.72 -178.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.996 2.464 . . . . 0.0 113.73 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 73' ' ' GLN . . . . . 0.438 ' NE2' ' HB2' ' C' ' 90' ' ' SER . 33.8 mt-30 -149.35 110.78 4.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.079 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.74 -79.98 0.35 Allowed Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.03 97.15 5.3 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.1 -87.0 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.07 171.5 17.78 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.256 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 65.3 p -128.03 147.87 50.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.205 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.14 87.81 0.3 Allowed Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.18 147.38 4.81 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -91.22 55.96 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.98 0.419 . . . . 0.0 110.678 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.67 -71.37 0.58 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -166.77 107.93 0.66 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.789 0.328 . . . . 0.0 110.571 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.4 83.36 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.279 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.3 132.69 34.02 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.849 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 22.6 m -154.19 -175.37 5.36 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.35 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.85 119.27 9.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.348 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.52 -178.43 7.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.902 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -172.21 159.84 4.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 90' ' ' SER . . . . . 0.438 ' HB2' ' NE2' ' C' ' 73' ' ' GLN . 87.8 p -163.23 166.34 23.34 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.085 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.8 78.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.16 47.83 0.09 OUTLIER Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.74 118.22 33.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 110.73 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.2 123.95 29.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.667 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.88 33.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.274 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t 56.65 55.63 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.384 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.535 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -133.94 -86.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.669 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -60.24 145.39 47.48 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.821 0.343 . . . . 0.0 110.613 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.31 138.22 10.11 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.44 -177.84 4.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 110.557 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -60.63 138.62 58.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.524 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.25 127.32 19.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.55 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -131.34 144.23 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -135.17 132.73 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.782 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.71 141.63 38.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.412 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.75 -52.54 1.9 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.032 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 45.9 t -133.29 128.07 34.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.761 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.41 79.64 1.17 Allowed Glycine 0 C--O 1.222 -0.604 0 C-N-CA 120.366 -0.921 . . . . 0.0 111.995 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 50' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' E' ' 49' ' ' GLY . 11.7 m-85 31.41 70.56 0.09 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.54 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.68 96.86 0.06 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.848 0.356 . . . . 0.0 110.574 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -163.82 168.21 19.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 93.2 p -153.42 157.08 39.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -126.23 131.58 51.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.454 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 50.9 m -140.9 24.1 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.612 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -71.32 149.95 45.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.628 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.86 131.05 42.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.52 152.76 6.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -174.2 132.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.735 0.302 . . . . 0.0 110.564 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.71 -21.78 7.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.01 126.77 8.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.337 . . . . 0.0 110.573 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -132.41 107.42 8.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -116.44 129.89 56.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.1 -161.79 0.48 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -52.16 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.722 0.296 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.5 -112.02 2.47 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.16 104.32 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.956 0.408 . . . . 0.0 110.391 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.32 140.49 33.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 69.6 m -106.74 125.64 51.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.4 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 71' ' ' THR . . . . . 0.414 HG22 ' HD2' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -84.27 173.35 7.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.875 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 72' ' ' PRO . . . . . 0.414 ' HD2' HG22 ' D' ' 71' ' ' THR . 78.5 Cg_exo -47.69 -178.66 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.916 2.41 . . . . 0.0 113.741 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 73' ' ' GLN . . . . . 0.439 ' NE2' ' HB2' ' D' ' 90' ' ' SER . 33.8 mt-30 -149.4 110.73 4.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.032 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.67 -79.96 0.35 Allowed Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.09 97.07 5.26 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.99 -87.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 43.4 t -151.96 171.54 17.65 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.257 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 66.5 p -127.91 147.78 50.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.476 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.09 87.7 0.3 Allowed Glycine 0 CA--C 1.528 0.869 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.439 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.18 147.4 4.82 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -91.21 56.07 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.673 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.77 -71.39 0.58 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.78 107.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.619 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.4 83.36 2.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.299 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.34 132.65 33.91 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.853 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 22.6 m -154.15 -175.41 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 111.373 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -145.87 119.31 9.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.263 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.51 -178.47 7.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -172.23 159.84 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 90' ' ' SER . . . . . 0.439 ' HB2' ' NE2' ' D' ' 73' ' ' GLN . 87.5 p -163.28 166.23 23.35 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.98 179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.84 78.44 0.21 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.28 47.86 0.09 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.76 118.26 33.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.752 0.31 . . . . 0.0 110.755 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.18 123.95 29.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.681 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.91 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.298 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.54 55.65 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.432 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.626 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -133.59 -89.3 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.27 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -59.02 145.19 42.83 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.782 0.325 . . . . 0.0 110.686 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.15 137.93 9.92 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.3 -177.84 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.737 0.303 . . . . 0.0 110.585 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -60.58 138.69 58.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.507 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.31 127.36 19.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.589 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -131.36 144.22 51.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -135.16 132.87 38.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -138.41 141.82 39.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 47' ' ' THR . . . . . 0.401 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -123.21 -50.08 1.92 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.589 -0.844 . . . . 0.0 112.129 177.775 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 48' ' ' SER . . . . . 0.401 ' N ' HG22 ' E' ' 47' ' ' THR . 47.6 t -131.06 126.04 34.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.856 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 49' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' D' ' 50' ' ' TYR . . . 111.76 72.2 0.63 Allowed Glycine 0 C--O 1.217 -0.939 0 C-N-CA 117.78 -2.152 . . . . 0.0 113.576 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 50' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' E' ' 49' ' ' GLY . 12.7 m-85 31.29 75.45 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.37 0.605 . . . . 0.0 110.945 -177.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.08 92.9 0.4 Allowed Glycine 0 CA--C 1.518 0.247 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 69.7 96.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.906 0.384 . . . . 0.0 110.496 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -163.87 168.33 19.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.451 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 91.7 p -153.21 157.31 40.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.401 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -126.22 131.71 51.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.752 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.8 24.03 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -71.26 149.93 45.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.681 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.84 130.89 42.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.486 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 152.72 6.51 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.19 132.27 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.68 -21.79 7.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.06 126.67 8.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.557 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -132.21 106.97 8.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.0 129.95 56.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.91 -162.24 0.48 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.6 -52.84 20.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.693 0.282 . . . . 0.0 110.79 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.13 -112.04 2.41 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.15 104.14 12.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.901 0.381 . . . . 0.0 110.147 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -141.06 141.22 34.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 71.6 m -107.51 126.98 53.2 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.126 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 71' ' ' THR . . . . . 0.412 HG22 ' HD2' ' E' ' 72' ' ' PRO . 0.0 OUTLIER -85.22 173.26 7.31 Favored Pre-proline 0 C--N 1.328 -0.365 0 O-C-N 124.551 1.157 . . . . 0.0 109.495 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 72' ' ' PRO . . . . . 0.412 ' HD2' HG22 ' E' ' 71' ' ' THR . 77.6 Cg_exo -47.79 -179.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.505 2.193 0 C-N-CA 122.999 2.466 . . . . 0.0 113.538 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 73' ' ' GLN . . . . . 0.439 ' NE2' ' HB2' ' E' ' 90' ' ' SER . 33.9 mt-30 -148.73 114.12 5.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.608 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 74' ' ' GLY . . . . . 0.435 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 121.22 -81.33 0.34 Allowed Glycine 0 CA--C 1.543 1.814 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -177.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -121.83 95.48 4.68 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 122.755 -0.262 . . . . 0.0 110.31 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -44.97 -86.66 0.01 OUTLIER Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -152.42 171.52 17.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.013 0.435 . . . . 0.0 111.183 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 66.0 p -127.74 147.29 50.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.173 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -128.76 86.17 0.32 Allowed Glycine 0 CA--C 1.542 1.754 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.825 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.48 146.45 4.53 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -90.18 56.95 3.57 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.718 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -113.72 -70.52 0.53 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 48.1 t -167.21 107.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.591 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 6.3 p -121.22 82.53 1.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.215 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -136.99 132.11 33.86 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.803 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 21.4 m -154.08 -176.42 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 111.35 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.24 119.29 9.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.277 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.69 -179.25 8.01 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -170.27 160.39 7.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.781 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 90' ' ' SER . . . . . 0.439 ' HB2' ' NE2' ' E' ' 73' ' ' GLN . 89.9 p -162.75 167.04 23.56 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.205 177.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.68 77.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.318 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 47.97 0.09 OUTLIER Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -96.34 118.08 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.28 -0.168 . . . . 0.0 110.992 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.33 124.01 29.51 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.609 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.33 129.75 33.95 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.513 0.508 . . . . 0.0 110.017 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.69 55.66 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.502 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.573 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -133.95 -86.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 70.8 m -60.18 145.38 47.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.722 0.296 . . . . 0.0 110.627 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.36 138.2 10.09 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.47 -177.86 4.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 110.614 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -60.65 138.65 58.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.531 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.28 127.3 19.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m -131.4 144.26 51.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 92.2 m -135.13 132.68 38.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.59 141.63 39.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.85 -52.36 1.89 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.035 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.49 127.67 33.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.753 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 49' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' E' ' 50' ' ' TYR . . . 108.66 80.02 1.19 Allowed Glycine 0 C--O 1.222 -0.618 0 C-N-CA 120.384 -0.913 . . . . 0.0 111.902 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 50' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' F' ' 49' ' ' GLY . 11.6 m-85 30.85 70.73 0.08 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.57 95.25 0.37 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.65 96.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.833 0.349 . . . . 0.0 110.597 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 77.8 p -163.71 168.19 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.467 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 93.5 p -153.39 157.09 39.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.536 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -126.21 131.52 51.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.464 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.25 149.99 45.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.632 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.89 130.9 42.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.6 152.74 6.44 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -174.17 132.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.731 0.301 . . . . 0.0 110.539 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.73 -21.75 7.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.1 126.87 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -132.52 107.29 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.04 130.3 56.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.42 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.49 -161.65 0.54 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -52.65 23.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.655 0.264 . . . . 0.0 110.765 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.97 -112.14 2.45 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.04 104.58 13.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.983 0.42 . . . . 0.0 110.19 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -141.39 140.46 33.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.748 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -106.74 125.67 51.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.329 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 71' ' ' THR . . . . . 0.414 HG22 ' HD2' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -84.29 173.31 7.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.896 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 72' ' ' PRO . . . . . 0.414 ' HD2' HG22 ' F' ' 71' ' ' THR . 78.0 Cg_exo -47.64 -178.6 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.992 2.462 . . . . 0.0 113.75 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 73' ' ' GLN . . . . . 0.44 ' NE2' ' HB2' ' F' ' 90' ' ' SER . 33.8 mt-30 -149.46 110.64 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.023 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.69 -80.07 0.35 Allowed Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.63 96.99 5.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.1 -87.06 0.01 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -152.0 171.48 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.208 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 65.2 p -127.97 147.86 50.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.21 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.12 87.75 0.3 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.359 -0.697 . . . . 0.0 111.359 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.12 147.41 4.82 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -91.17 55.98 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.401 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.71 -71.37 0.58 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.75 107.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 110.599 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.32 83.38 2.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.336 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.36 132.61 33.81 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.799 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 22.8 m -154.13 -175.37 5.36 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.378 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.4 t -145.87 119.32 9.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.275 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.55 -178.44 7.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.924 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 46.2 t -172.24 159.86 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.31 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 90' ' ' SER . . . . . 0.44 ' HB2' ' NE2' ' F' ' 73' ' ' GLN . 87.7 p -163.37 166.37 22.99 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.129 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.73 78.15 0.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.188 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.08 47.76 0.09 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.75 118.3 34.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.25 123.91 29.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.659 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.51 129.93 33.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.334 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.5 55.61 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.599 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -133.98 -86.85 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -60.34 145.44 47.74 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.709 0.29 . . . . 0.0 110.581 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.33 138.21 10.09 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.46 -177.77 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.553 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -60.65 138.6 58.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.564 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.24 127.36 19.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -131.34 144.22 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.15 132.68 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -138.6 141.67 39.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.485 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.77 -52.37 1.9 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.109 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 45.9 t -133.47 127.99 34.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.73 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.41 79.73 1.18 Allowed Glycine 0 C--O 1.222 -0.601 0 C-N-CA 120.403 -0.903 . . . . 0.0 111.944 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.39 70.52 0.09 Allowed 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.52 95.29 0.37 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.67 96.84 0.06 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.801 0.334 . . . . 0.0 110.551 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -163.76 168.24 19.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.489 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -153.43 157.12 39.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.515 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -126.16 131.57 52.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.517 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.92 23.96 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.23 149.95 45.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.608 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.84 130.9 42.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.59 152.7 6.41 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.14 132.28 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.534 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 9.0 m -118.69 -21.88 7.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.96 126.82 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.613 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -132.36 107.34 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.661 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.14 129.97 56.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.22 -161.7 0.49 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.94 -52.4 24.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.3 . . . . 0.0 110.799 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.74 -112.15 2.47 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.06 104.57 13.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.953 0.406 . . . . 0.0 110.208 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.4 140.47 33.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.69 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 69.8 m -106.7 125.64 51.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.392 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 71' ' ' THR . . . . . 0.414 HG22 ' HD2' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -84.2 173.32 7.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.875 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 72' ' ' PRO . . . . . 0.414 ' HD2' HG22 ' G' ' 71' ' ' THR . 78.1 Cg_exo -47.75 -178.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.874 2.382 . . . . 0.0 113.766 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 73' ' ' GLN . . . . . 0.439 ' NE2' ' HB2' ' G' ' 90' ' ' SER . 33.9 mt-30 -149.48 110.65 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.023 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.82 -79.9 0.35 Allowed Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.16 97.02 5.23 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.04 -86.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.12 171.55 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.197 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 65.0 p -128.03 147.96 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.226 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.19 87.79 0.3 Allowed Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.14 147.38 4.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -91.19 56.01 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.939 0.4 . . . . 0.0 110.677 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.7 -71.4 0.58 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -166.76 107.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.39 83.31 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.359 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.26 132.55 33.93 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.857 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 22.7 m -154.06 -175.39 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 0.0 111.415 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.9 119.27 8.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.319 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.47 -178.49 7.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.923 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 46.0 t -172.13 159.91 5.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.744 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 90' ' ' SER . . . . . 0.439 ' HB2' ' NE2' ' G' ' 73' ' ' GLN . 87.8 p -163.34 166.32 23.12 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.129 179.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.82 78.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.16 47.78 0.09 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.68 118.28 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 110.712 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.28 123.89 29.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.694 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.52 129.82 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.63 55.63 6.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.439 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.494 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -134.0 -86.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.641 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -60.22 145.43 47.27 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.775 0.321 . . . . 0.0 110.621 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.39 138.24 10.11 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.48 -177.78 4.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.543 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 40.7 t -60.68 138.69 58.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.516 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.29 127.31 19.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.569 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.32 144.2 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.12 132.79 38.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.79 141.56 38.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.441 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.81 -52.28 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.086 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.45 127.89 34.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.741 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.48 79.68 1.17 Allowed Glycine 0 C--O 1.222 -0.627 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.003 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 31.35 70.52 0.09 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.51 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.65 96.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.79 0.329 . . . . 0.0 110.613 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -163.8 168.12 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.463 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.36 157.08 39.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.596 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.19 131.56 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.442 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.86 24.07 2.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -71.27 149.92 45.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.671 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.91 130.95 42.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.62 152.68 6.42 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.11 132.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 0.0 110.532 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.7 -21.8 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.05 126.84 8.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 110.562 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -132.43 107.36 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.636 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.15 130.12 56.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.35 -161.73 0.52 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.89 -52.42 24.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.681 0.277 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.78 -112.11 2.46 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.06 104.46 13.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.977 0.418 . . . . 0.0 110.223 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.23 140.53 33.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.678 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -106.83 125.62 51.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.291 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 71' ' ' THR . . . . . 0.413 HG22 ' HD2' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -84.2 173.24 7.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.885 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 72' ' ' PRO . . . . . 0.413 ' HD2' HG22 ' H' ' 71' ' ' THR . 78.3 Cg_exo -47.68 -178.54 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.918 2.412 . . . . 0.0 113.783 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 73' ' ' GLN . . . . . 0.438 ' NE2' ' HB2' ' H' ' 90' ' ' SER . 33.8 mt-30 -149.46 110.77 4.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.032 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.75 -79.96 0.35 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.94 97.02 5.25 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.14 -86.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.19 171.49 17.85 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.214 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 65.6 p -127.94 147.91 50.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.221 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.14 87.84 0.3 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.08 147.36 4.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -91.14 56.06 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.647 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.78 -71.38 0.58 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.75 107.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.41 83.37 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.285 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.29 132.58 33.91 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.854 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 22.7 m -154.16 -175.54 5.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 111.39 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 45.3 t -145.73 119.29 9.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.322 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.55 -178.48 7.37 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.894 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 46.0 t -172.14 159.89 5.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 0.0 110.789 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 90' ' ' SER . . . . . 0.438 ' HB2' ' NE2' ' H' ' 73' ' ' GLN . 88.1 p -163.31 166.27 23.23 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.104 179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.79 78.64 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.43 47.82 0.09 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.76 118.27 33.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 110.737 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.22 123.92 29.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.672 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.54 129.82 33.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.6 55.64 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.418 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.615 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -133.94 -86.89 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.647 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 70.3 m -60.18 145.27 47.68 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.697 0.285 . . . . 0.0 110.657 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.29 138.26 10.13 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.45 -177.6 4.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.546 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 40.7 t -60.8 138.55 58.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.462 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.25 127.3 19.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.634 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.29 144.06 51.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.616 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -135.07 132.59 38.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.999 0.428 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -138.8 140.66 38.64 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.581 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.06 -52.62 1.97 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.161 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 45.2 t -133.21 128.31 35.64 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.733 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 108.34 79.59 1.17 Allowed Glycine 0 C--O 1.223 -0.589 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.954 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' I' ' 49' ' ' GLY . 11.4 m-85 31.08 72.11 0.07 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.7 95.31 0.46 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 68.6 96.49 0.06 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 110.577 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -163.4 168.3 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.482 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 92.9 p -153.43 157.1 39.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.494 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -126.21 131.5 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.514 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.601 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.2 149.92 45.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.645 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.97 130.8 42.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.431 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 152.6 6.42 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.01 132.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.526 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.62 -21.98 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.89 126.83 8.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -132.48 107.35 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.634 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -116.01 130.22 56.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.46 -161.64 0.53 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.02 -52.46 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.564 0.221 . . . . 0.0 110.692 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.87 -112.26 2.48 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 21.1 p -110.85 104.28 12.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.75 0.31 . . . . 0.0 110.194 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.27 140.57 33.91 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.549 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 69.4 m -106.63 126.15 51.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.282 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 71' ' ' THR . . . . . 0.408 HG22 ' HD2' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -84.54 173.23 7.52 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.69 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 72' ' ' PRO . . . . . 0.408 ' HD2' HG22 ' I' ' 71' ' ' THR . 76.3 Cg_exo -47.99 -178.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.998 2.465 . . . . 0.0 113.498 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 73' ' ' GLN . . . . . 0.434 ' NE2' ' HB2' ' I' ' 90' ' ' SER . 34.0 mt-30 -149.49 111.19 4.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.096 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.83 -79.75 0.35 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.84 96.93 5.21 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.8 -86.48 0.01 OUTLIER Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 44.4 t -152.36 171.57 17.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.136 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 62.9 p -127.71 148.41 50.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.21 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.41 88.03 0.3 Allowed Glycine 0 CA--C 1.527 0.803 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.417 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.88 147.59 4.86 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -91.22 56.66 3.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.923 0.392 . . . . 0.0 110.569 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -113.01 -71.35 0.57 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 48.2 t -166.82 108.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.729 0.299 . . . . 0.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.54 83.32 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.295 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -137.19 132.47 33.96 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.652 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 24.1 m -154.15 -176.2 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.971 0.415 . . . . 0.0 111.271 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.11 119.27 9.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.371 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.72 -179.13 7.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.867 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 45.8 t -171.44 160.03 5.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 90' ' ' SER . . . . . 0.434 ' HB2' ' NE2' ' I' ' 73' ' ' GLN . 90.1 p -163.3 166.19 23.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.17 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -166.85 80.11 0.22 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 47.81 0.08 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.85 118.22 33.91 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.707 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -131.32 123.95 29.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.57 129.96 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.314 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.59 55.52 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.457 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.557 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -129.16 141.45 51.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.29 96.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.768 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.67 147.94 18.89 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.11 -178.16 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.769 0.319 . . . . 0.0 110.607 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.3 p -67.31 158.92 30.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.782 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -160.74 128.28 4.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.523 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.71 118.16 14.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.596 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -120.08 132.33 55.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -149.93 126.29 10.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.5 m -53.93 -54.21 41.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.341 0.591 . . . . 0.0 110.038 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 7.9 p -132.31 -100.41 0.28 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.244 178.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.28 50.46 28.88 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.625 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.52 -166.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.515 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.47 -53.07 1.26 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.79 -82.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.402 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.64 127.3 40.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.906 0.384 . . . . 0.0 110.771 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.9 t -100.86 123.73 45.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.195 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -97.53 143.92 27.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 111.045 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.39 26.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.322 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.5 m -86.49 -178.84 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.959 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.53 44.17 21.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.91 -176.35 41.95 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -100.28 26.0 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.366 . . . . 0.0 110.368 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.3 137.04 42.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -94.01 103.9 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -93.89 101.39 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.367 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.5 m -112.67 132.28 55.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.84 -160.25 0.09 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 48' ' ' SER . 2.0 m-85 -47.28 -53.37 13.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.102 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.47 -108.93 2.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.0 p -109.66 102.74 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.079 0.466 . . . . 0.0 110.312 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -159.09 177.63 10.89 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.68 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.5 t -131.42 122.2 25.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.229 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.59 173.21 7.75 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.077 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.412 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 75.5 Cg_exo -45.42 171.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.651 2.234 . . . . 0.0 113.577 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.412 ' NE2' ' O ' ' A' ' 72' ' ' PRO . 5.5 mp0 -147.27 112.01 5.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.596 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.1 95.36 0.43 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -178.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 66.42 69.13 0.43 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.484 0.659 . . . . 0.0 110.147 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.32 101.84 2.77 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.09 100.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.033 0.444 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.76 149.65 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.39 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.83 92.92 0.19 Allowed Glycine 0 CA--C 1.528 0.884 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.68 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.44 130.28 2.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -92.2 54.6 2.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 110.779 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.38 68.52 0.53 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.975 0.417 . . . . 0.0 110.871 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.74 88.79 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.145 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.73 122.27 32.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.583 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.4 m -149.79 -179.0 6.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.962 0.411 . . . . 0.0 111.089 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -149.26 143.3 25.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.88 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.27 -175.34 1.39 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.338 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -161.52 170.89 19.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.739 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.3 112.53 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.426 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -121.46 98.11 5.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.934 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.97 53.01 0.1 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.91 104.96 17.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.54 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.28 143.57 37.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.728 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.5 m -133.25 119.76 20.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.447 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.61 -163.18 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.619 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.588 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -129.16 141.43 51.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.35 96.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.723 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.65 148.07 18.89 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.19 -177.74 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 110.616 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 83.3 p -67.65 158.89 31.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.726 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -160.61 128.16 4.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.492 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.53 118.21 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.758 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -120.13 132.63 55.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.2 126.18 10.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.245 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.08 -54.38 40.21 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.402 ' HB2' ' CZ ' ' B' ' 66' ' ' TYR . 7.0 p -132.09 -100.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.21 52.47 22.71 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.373 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.45 -166.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.738 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.83 -53.06 1.22 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.84 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.611 0.243 . . . . 0.0 110.362 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 78.7 p -129.57 127.35 40.52 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.794 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -100.83 123.61 45.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.212 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.37 143.83 27.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.125 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.45 26.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.363 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 60.1 m -86.54 -178.95 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.917 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.55 44.12 21.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.99 -176.3 42.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.3 25.98 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.335 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.29 136.89 42.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.726 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.86 103.88 15.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.587 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -94.0 101.32 13.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.395 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -112.37 132.5 54.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.11 -160.1 0.1 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' B' ' 48' ' ' SER . 2.0 m-85 -47.49 -53.26 14.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.599 0.238 . . . . 0.0 111.014 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.45 -109.11 2.92 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.514 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 27.0 p -109.32 102.49 11.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.683 0.278 . . . . 0.0 110.386 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.92 177.96 10.59 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.709 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.58 122.08 25.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.14 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 173.45 7.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.955 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.429 ' O ' ' NE2' ' B' ' 73' ' ' GLN . 81.1 Cg_exo -45.32 173.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.793 2.328 . . . . 0.0 113.391 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' B' ' 72' ' ' PRO . 5.4 mp0 -148.86 111.49 4.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.817 -1.083 . . . . 0.0 108.586 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.62 95.37 0.47 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.68 68.83 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.141 0.496 . . . . 0.0 109.955 -178.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.33 101.07 2.69 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.14 99.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 110.718 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.76 150.28 47.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.599 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.22 92.99 0.18 Allowed Glycine 0 CA--C 1.527 0.802 0 C-N-CA 120.976 -0.631 . . . . 0.0 111.586 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.33 130.32 2.89 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -92.14 55.09 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.721 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.83 68.76 0.53 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.901 0.381 . . . . 0.0 110.861 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.75 88.9 2.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.124 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.76 122.22 32.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.54 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.65 -179.01 6.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.009 0.433 . . . . 0.0 111.108 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.23 143.19 25.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.847 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.26 -175.25 1.37 Allowed 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.582 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -161.48 170.81 19.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.718 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.17 112.57 4.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.527 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -121.74 98.93 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.34 53.33 0.11 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.99 104.88 16.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.562 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.29 143.61 37.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.749 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.34 119.76 20.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.494 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.72 -163.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.582 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 56.4 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.547 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -129.17 141.46 51.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.29 96.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.722 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.67 148.11 18.88 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.16 -177.69 4.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.763 0.316 . . . . 0.0 110.596 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 83.1 p -67.6 158.83 31.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.791 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -160.59 128.26 4.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.477 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.52 118.2 14.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.745 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -120.1 132.57 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.23 126.21 10.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.213 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -54.21 -54.26 42.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' SER . . . . . 0.403 ' HB2' ' CZ ' ' C' ' 66' ' ' TYR . 7.2 p -132.11 -100.4 0.28 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.08 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.33 52.48 23.2 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.333 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.28 -166.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.786 0.327 . . . . 0.0 110.796 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.93 -52.94 1.22 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.94 -82.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.642 0.258 . . . . 0.0 110.373 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 78.5 p -129.48 127.25 40.48 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.783 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 36.3 t -100.73 123.61 45.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.268 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.49 143.9 27.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 111.046 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.49 26.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.293 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -86.5 -178.89 6.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.44 44.18 21.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.05 -176.28 42.06 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -100.28 26.0 7.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.398 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 69.4 m -54.38 136.89 43.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.85 103.99 16.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.532 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -94.06 101.24 13.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.453 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -112.25 132.56 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.27 -160.0 0.1 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 66' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' C' ' 48' ' ' SER . 2.0 m-85 -47.57 -53.2 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.564 0.221 . . . . 0.0 110.994 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.42 -109.17 2.94 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.34 102.44 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.732 0.301 . . . . 0.0 110.366 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.87 178.03 10.52 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.682 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.6 122.05 25.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.166 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.18 173.52 7.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.965 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 72' ' ' PRO . . . . . 0.43 ' O ' ' NE2' ' C' ' 73' ' ' GLN . 80.6 Cg_exo -45.26 173.35 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.752 2.301 . . . . 0.0 113.381 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 73' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' C' ' 72' ' ' PRO . 5.4 mp0 -149.02 111.4 4.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.495 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.8 95.3 0.48 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.62 68.91 0.42 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.214 0.53 . . . . 0.0 109.993 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.31 101.03 2.68 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.19 99.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.059 0.457 . . . . 0.0 110.767 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.69 150.24 47.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.575 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.26 93.02 0.18 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.506 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.31 130.3 2.89 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -92.09 55.17 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.703 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.87 68.66 0.53 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.49 107.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.75 88.88 2.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.095 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.67 122.11 32.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.62 -178.96 6.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.24 143.22 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.917 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.25 -175.32 1.39 Allowed 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.628 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.44 170.8 19.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.71 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.12 112.65 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.464 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -121.85 99.06 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.43 53.34 0.11 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.95 104.93 16.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.708 0.29 . . . . 0.0 110.629 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.36 143.58 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.74 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 24.3 m -133.3 119.58 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.81 -163.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.615 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -129.2 141.43 51.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.29 96.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.749 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.72 147.99 18.89 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.16 -177.7 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.453 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 83.0 p -67.55 158.74 31.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -160.62 128.21 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 44.6 t -136.48 118.31 15.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.789 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 91.9 m -120.26 132.52 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.15 126.25 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.208 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 17.5 m -54.24 -54.15 43.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.982 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 48' ' ' SER . . . . . 0.402 ' HB2' ' CZ ' ' D' ' 66' ' ' TYR . 6.7 p -132.31 -100.15 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.15 52.67 21.83 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.402 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.33 -166.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 110.625 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 -53.03 1.21 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.86 -82.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.599 0.237 . . . . 0.0 110.372 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 78.7 p -129.52 127.27 40.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.379 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.84 123.66 45.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.231 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -97.49 143.82 27.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.994 0.426 . . . . 0.0 111.086 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.35 26.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.272 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.9 m -86.53 -178.92 6.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.937 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.46 44.24 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.04 -176.23 42.06 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -100.4 25.99 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.301 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.31 136.85 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.84 103.92 16.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.52 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.01 101.26 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.447 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -112.4 132.46 55.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.962 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.0 -160.12 0.09 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' D' ' 48' ' ' SER . 2.0 m-85 -47.51 -53.01 15.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.569 0.224 . . . . 0.0 111.093 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.15 -109.01 2.93 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.41 102.23 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.712 0.291 . . . . 0.0 110.549 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.74 178.05 10.52 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.748 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 42.5 t -131.6 122.07 25.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.148 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.24 173.53 7.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.903 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 72' ' ' PRO . . . . . 0.43 ' O ' ' NE2' ' D' ' 73' ' ' GLN . 80.3 Cg_exo -45.26 173.36 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.699 2.266 . . . . 0.0 113.455 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 73' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' D' ' 72' ' ' PRO . 5.3 mp0 -149.03 111.39 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.483 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.74 95.28 0.48 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.57 69.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.195 0.522 . . . . 0.0 109.955 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.37 101.1 2.69 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.09 99.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.117 0.484 . . . . 0.0 110.854 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.64 150.22 47.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.725 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.25 93.02 0.18 Allowed Glycine 0 CA--C 1.527 0.799 0 C-N-CA 121.012 -0.614 . . . . 0.0 111.606 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.23 130.28 2.9 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -92.06 55.19 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.8 68.65 0.53 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.968 0.414 . . . . 0.0 110.855 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.72 88.92 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.124 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.7 122.16 32.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.644 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 72.3 m -149.69 -178.98 6.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.961 0.41 . . . . 0.0 111.094 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -149.2 143.19 25.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.913 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.28 -175.26 1.37 Allowed 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.651 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.5 170.74 19.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.729 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.1 112.55 4.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.474 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -121.93 99.0 6.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.38 53.45 0.11 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.97 104.75 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.749 0.309 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.28 143.55 37.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.742 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.21 119.67 20.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.77 -163.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.577 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -129.29 141.31 51.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.628 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.39 96.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.079 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.83 148.14 18.88 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.05 -177.69 4.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.704 0.288 . . . . 0.0 110.631 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 83.3 p -67.68 158.87 31.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.764 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -160.61 128.22 4.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.449 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -136.57 118.28 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.722 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -120.19 132.41 55.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -149.91 127.14 11.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.31 0.576 . . . . 0.0 110.207 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 16.6 m -56.08 -53.77 52.98 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.122 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 48' ' ' SER . . . . . 0.404 ' HB2' ' CZ ' ' E' ' 66' ' ' TYR . 7.4 p -130.56 -100.16 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.696 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 51.22 48.92 45.9 Favored Glycine 0 C--N 1.341 0.832 0 C-N-CA 119.739 -1.22 . . . . 0.0 111.806 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.49 -166.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.16 0.505 . . . . 0.0 110.3 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.64 -52.76 1.18 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -162.63 -84.42 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -128.51 127.52 42.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.895 0.378 . . . . 0.0 110.482 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 33.7 t -101.74 123.69 46.13 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.091 0.472 . . . . 0.0 109.867 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.5 143.91 27.73 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.49 26.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.276 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 60.1 m -86.56 -179.02 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.939 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.65 44.13 21.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.04 -176.26 42.05 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.33 25.92 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.365 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 69.5 m -54.16 136.87 41.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.731 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.86 103.89 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.07 101.33 13.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.413 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -112.36 132.43 55.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.721 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.3 -161.89 0.11 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 66' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' E' ' 48' ' ' SER . 2.0 m-85 -46.39 -53.87 10.17 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 120.659 0.266 . . . . 0.0 110.778 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.7 -109.06 2.88 Favored Glycine 0 N--CA 1.466 0.651 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 27.3 p -109.71 102.4 11.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.985 0.462 . . . . 0.0 110.083 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.91 178.13 10.41 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.734 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 41.8 t -131.98 122.93 26.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 118.822 -0.608 . . . . 0.0 110.148 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.19 173.54 7.14 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 125.23 1.582 . . . . 0.0 109.325 -178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 72' ' ' PRO . . . . . 0.421 ' O ' ' NE2' ' E' ' 73' ' ' GLN . 83.0 Cg_exo -45.57 173.59 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.681 2.254 . . . . 0.0 113.27 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 73' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' E' ' 72' ' ' PRO . 5.2 mp0 -148.74 114.15 5.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.627 -1.17 . . . . 0.0 107.913 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.19 95.16 0.37 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 67.51 67.57 0.38 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.499 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.36 104.51 3.05 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 119.729 -1.224 . . . . 0.0 110.101 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.99 101.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.467 0.651 . . . . 0.0 110.589 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.39 149.89 49.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.427 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.46 91.2 0.18 Allowed Glycine 0 CA--C 1.536 1.401 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.754 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.83 129.44 2.78 Favored Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -90.42 55.44 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.976 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.54 68.83 0.52 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.9 108.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.96 0.41 . . . . 0.0 110.662 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.9 87.94 2.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.067 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.37 121.25 30.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.519 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 72.6 m -149.28 -179.1 6.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.059 0.457 . . . . 0.0 111.084 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.13 143.18 25.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.886 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.32 -175.19 1.35 Allowed 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.536 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.02 171.32 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.731 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.32 112.54 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.782 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -121.14 98.21 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.9 52.72 0.1 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -96.12 104.77 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.649 0.262 . . . . 0.0 110.742 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.31 143.51 37.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.741 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 23.9 m -133.04 119.47 20.09 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.264 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.84 -163.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 56.2 t80 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.555 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -129.08 141.49 51.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.609 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.26 96.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.727 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.77 148.14 18.88 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.15 -177.62 4.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.798 0.333 . . . . 0.0 110.658 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 83.3 p -67.75 158.82 31.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.703 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -160.56 128.18 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.478 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.5 118.11 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.709 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 92.3 m -120.02 132.72 55.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.763 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -150.33 126.23 10.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.292 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.19 -54.52 38.74 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.896 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 48' ' ' SER . . . . . 0.4 ' HB2' ' CZ ' ' F' ' 66' ' ' TYR . 6.8 p -131.96 -100.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.28 52.54 22.82 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.332 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.26 -166.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.94 -52.98 1.22 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.97 -82.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.6 127.38 40.52 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.818 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.94 123.65 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.189 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.36 143.92 27.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.46 26.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.333 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.8 m -86.5 -178.94 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.52 44.17 21.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.03 -176.26 42.04 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.33 26.02 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.403 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 69.7 m -54.35 136.98 42.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.94 104.02 16.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.16 101.24 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.417 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -112.17 132.67 54.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.28 -159.88 0.1 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 66' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' F' ' 48' ' ' SER . 2.0 m-85 -47.48 -53.51 14.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.62 0.248 . . . . 0.0 110.969 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.61 -109.28 2.93 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.23 102.67 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.704 0.287 . . . . 0.0 110.354 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.97 178.12 10.41 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.039 -0.665 . . . . 0.0 111.74 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -131.69 122.0 25.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.128 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.23 173.57 7.3 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.965 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 72' ' ' PRO . . . . . 0.428 ' O ' ' NE2' ' F' ' 73' ' ' GLN . 81.4 Cg_exo -45.32 173.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.754 2.303 . . . . 0.0 113.377 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 73' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' F' ' 72' ' ' PRO . 5.4 mp0 -149.07 111.3 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.779 -1.101 . . . . 0.0 108.49 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.83 95.38 0.48 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.81 68.59 0.41 Allowed 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 121.168 0.509 . . . . 0.0 109.972 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.14 101.09 2.68 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.08 99.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 110.774 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.59 150.28 47.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.625 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.23 93.06 0.18 Allowed Glycine 0 CA--C 1.527 0.842 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.603 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.31 130.3 2.89 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -92.12 55.23 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.956 0.408 . . . . 0.0 110.667 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.91 68.64 0.53 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.45 107.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.928 0.394 . . . . 0.0 110.913 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.77 88.84 2.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.173 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.73 122.14 32.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.65 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 71.8 m -149.53 -178.9 6.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.954 0.406 . . . . 0.0 111.081 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -149.27 143.21 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.861 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.23 -175.14 1.36 Allowed 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 120.311 -0.555 . . . . 0.0 111.624 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.64 170.83 19.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.16 112.5 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.526 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.66 99.04 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.31 53.48 0.11 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.03 104.82 16.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.735 0.303 . . . . 0.0 110.613 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.27 143.58 38.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.722 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 23.9 m -133.24 119.66 20.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.597 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.68 -163.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.605 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.592 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -129.15 141.46 51.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.35 96.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.678 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.69 148.01 18.89 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.08 -177.64 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.753 0.311 . . . . 0.0 110.651 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 83.2 p -67.6 158.77 31.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -160.59 128.28 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 44.6 t -136.57 118.2 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.727 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -120.14 132.59 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.788 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -150.16 126.15 10.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.269 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -54.16 -54.34 41.0 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.955 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 48' ' ' SER . . . . . 0.401 ' HB2' ' CZ ' ' G' ' 66' ' ' TYR . 6.9 p -132.08 -100.21 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.11 52.61 21.86 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.393 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.31 -166.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 -53.08 1.2 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.88 -82.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.612 0.244 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.51 127.4 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -100.91 123.59 45.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.228 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -97.48 143.89 27.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.991 0.424 . . . . 0.0 111.047 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.39 26.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.341 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 60.2 m -86.45 -178.97 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.953 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.6 44.05 21.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.871 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.06 -176.33 42.05 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.3 26.02 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.376 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -54.33 137.03 42.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.722 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.96 103.86 15.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.572 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.03 101.29 13.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.466 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -112.28 132.66 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.23 -160.03 0.1 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 66' ' ' TYR . . . . . 0.401 ' CZ ' ' HB2' ' G' ' 48' ' ' SER . 2.0 m-85 -47.47 -53.3 14.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.571 0.224 . . . . 0.0 111.05 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.42 -109.07 2.91 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -109.41 102.54 11.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.31 . . . . 0.0 110.332 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.92 178.15 10.39 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.745 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 42.4 t -131.71 121.98 25.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.077 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 173.53 7.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 72' ' ' PRO . . . . . 0.428 ' O ' ' NE2' ' G' ' 73' ' ' GLN . 82.5 Cg_exo -45.34 173.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.829 2.353 . . . . 0.0 113.348 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 73' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' G' ' 72' ' ' PRO . 5.3 mp0 -149.01 111.4 4.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.45 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.75 95.39 0.48 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.59 68.88 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.23 0.538 . . . . 0.0 109.962 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.25 101.18 2.7 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.1 99.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.036 0.446 . . . . 0.0 110.779 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.76 150.27 47.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.627 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.21 92.96 0.18 Allowed Glycine 0 CA--C 1.529 0.918 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.536 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.34 130.44 2.9 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -92.21 55.25 2.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.407 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.9 68.66 0.53 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.47 107.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.964 0.411 . . . . 0.0 110.895 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.71 88.92 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.139 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.7 122.07 31.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.675 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.57 -178.89 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.411 . . . . 0.0 111.132 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -149.27 143.16 25.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.854 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.12 -175.16 1.39 Allowed 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.627 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -161.55 170.75 19.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.751 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.11 112.68 4.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.87 99.0 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.36 53.43 0.11 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.97 104.79 16.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.578 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.26 143.6 38.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.761 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 24.6 m -133.3 119.7 20.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.503 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.7 -163.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.518 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.639 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -129.09 141.48 51.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.647 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.31 96.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.7 148.03 18.89 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.13 -177.57 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.722 0.296 . . . . 0.0 110.657 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 83.1 p -67.7 158.75 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -160.56 128.18 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.488 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.49 118.26 15.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.714 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 92.2 m -120.19 132.61 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.782 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.24 126.27 10.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.243 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.29 -54.32 41.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.949 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 48' ' ' SER . . . . . 0.402 ' HB2' ' CZ ' ' H' ' 66' ' ' TYR . 6.9 p -132.01 -100.33 0.29 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.26 52.48 22.91 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.376 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.34 -166.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.78 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.03 -53.11 1.2 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.89 -82.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.617 0.246 . . . . 0.0 110.362 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.49 127.4 40.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.85 123.6 45.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.218 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -97.45 143.9 27.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.4 26.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.301 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 60.5 m -86.45 -179.03 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.935 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.65 44.11 21.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.98 -176.28 42.01 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.26 25.95 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.419 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -54.2 136.92 42.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.9 103.88 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.03 101.27 13.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.422 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.5 m -112.28 132.62 54.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.784 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.16 -159.93 0.1 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' H' ' 48' ' ' SER . 2.0 m-85 -47.62 -53.27 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.518 0.199 . . . . 0.0 110.999 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.45 -109.22 2.94 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.492 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 27.0 p -109.36 102.56 11.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.739 0.304 . . . . 0.0 110.393 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.86 178.08 10.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.75 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.67 122.06 25.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.145 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.26 173.48 7.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.958 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 72' ' ' PRO . . . . . 0.429 ' O ' ' NE2' ' H' ' 73' ' ' GLN . 81.7 Cg_exo -45.28 173.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.722 2.281 . . . . 0.0 113.372 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 73' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' H' ' 72' ' ' PRO . 5.4 mp0 -149.03 111.39 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.544 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.79 95.36 0.48 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.62 68.91 0.42 Allowed 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 121.235 0.541 . . . . 0.0 109.945 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.38 101.1 2.69 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.19 99.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.008 0.433 . . . . 0.0 110.729 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.56 150.35 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.661 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.3 93.04 0.18 Allowed Glycine 0 CA--C 1.528 0.845 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.575 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.3 130.39 2.9 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -92.07 55.27 2.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.937 0.398 . . . . 0.0 110.752 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.92 68.7 0.53 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.49 107.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.0 110.867 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.76 88.92 2.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.068 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.75 122.09 31.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.53 -178.98 6.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.024 0.44 . . . . 0.0 111.159 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -149.18 143.12 25.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.859 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.16 -175.23 1.4 Allowed 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.649 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.7 p -161.52 170.69 19.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.704 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.03 112.61 4.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.554 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.91 99.17 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.21 53.53 0.11 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.0 104.78 16.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 110.573 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.26 143.61 38.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.713 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 24.3 m -133.31 119.69 20.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.491 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.64 -163.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 56.3 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.552 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -129.14 141.51 51.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.537 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 2.0 t 63.27 96.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.655 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.77 148.04 18.88 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -125.93 -177.26 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 0.0 110.57 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 82.9 p -67.96 158.7 32.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.787 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -160.54 128.22 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.496 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.41 118.68 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.714 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 90.8 m -120.75 132.67 55.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.51 . . . . 0.0 110.697 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.2 127.07 11.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.25 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -55.35 -54.14 47.33 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.805 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 48' ' ' SER . . . . . 0.401 ' HB2' ' CZ ' ' I' ' 66' ' ' TYR . 6.2 p -132.03 -99.21 0.3 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.37 52.7 18.09 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.403 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.55 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.892 0.377 . . . . 0.0 110.731 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.66 -53.25 1.14 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.66 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.605 0.241 . . . . 0.0 110.411 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.54 127.71 41.3 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.643 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 35.9 t -101.09 123.64 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.229 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.53 143.84 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 111.095 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.35 26.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.32 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -86.5 -179.04 6.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.907 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 57.68 44.16 21.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.0 -176.27 42.03 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.28 25.94 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.416 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 69.9 m -54.3 137.0 42.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.736 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.91 103.93 16.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -94.19 101.24 13.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.379 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -112.11 132.89 54.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.757 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.48 -159.83 0.11 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 66' ' ' TYR . . . . . 0.401 ' CZ ' ' HB2' ' I' ' 48' ' ' SER . 2.1 m-85 -47.8 -53.13 16.39 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.881 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.51 -109.43 2.98 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.442 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 27.6 p -109.25 102.52 11.45 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.99 178.16 10.37 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.407 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -131.56 122.57 26.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.997 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.47 173.39 7.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.771 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 72' ' ' PRO . . . . . 0.427 ' O ' ' NE2' ' I' ' 73' ' ' GLN . 84.4 Cg_exo -45.51 173.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.71 2.273 . . . . 0.0 113.263 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 73' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' I' ' 72' ' ' PRO . 5.4 mp0 -149.16 111.71 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.545 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.65 95.61 0.47 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.58 68.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 109.972 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.84 101.49 2.71 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.86 99.55 0.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 110.602 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.15 150.95 44.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.55 93.14 0.18 Allowed Glycine 0 CA--C 1.528 0.856 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.499 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.18 130.51 2.92 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -92.19 55.75 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.854 0.359 . . . . 0.0 110.593 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.19 68.74 0.52 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.47 107.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 110.862 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.83 88.81 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.112 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.57 122.11 32.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 71.9 m -149.57 -179.3 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.99 0.424 . . . . 0.0 111.193 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -148.94 143.18 26.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.911 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.35 -175.57 1.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.559 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.3 p -161.13 170.8 19.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.8 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.88 112.61 4.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.486 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -122.11 99.74 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.134 0.493 . . . . 0.0 110.748 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.78 53.93 0.11 Allowed Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.344 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.0 104.73 16.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.698 0.285 . . . . 0.0 110.639 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.35 143.58 37.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.79 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.34 119.74 20.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.67 -163.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.532 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.593 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -110.36 112.05 23.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.5 t -148.15 101.02 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.745 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.34 -172.25 45.22 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.2 t80 63.46 146.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.647 0.26 . . . . 0.0 110.724 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.6 t 176.2 94.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.85 155.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.638 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.6 t -67.19 137.67 56.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.409 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.2 m -120.39 130.54 54.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.969 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -146.38 124.08 11.86 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.801 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.76 -52.01 16.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 111.439 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -132.47 -179.49 5.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.693 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.03 69.2 1.42 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 31.81 71.03 0.09 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.104 0.532 . . . . 0.0 112.199 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.33 95.16 0.35 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.76 88.82 0.11 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.57 149.31 25.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.46 137.47 42.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.19 105.21 14.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.442 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.4 m -119.85 23.43 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.27 151.63 45.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.68 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -111.2 133.61 53.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.569 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.37 93.48 0.17 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -138.87 146.4 41.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.469 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.3 144.75 46.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.11 58.53 5.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.41 132.46 39.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.448 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.5 m -133.75 134.87 43.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.014 0.435 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 -160.56 0.71 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.36 -62.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.4 . . . . 0.0 111.178 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -94.53 0.9 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 96' ' ' SER . 20.6 p -116.33 112.09 21.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.168 0.508 . . . . 0.0 110.552 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -161.6 133.26 5.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.547 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.2 m -106.88 125.01 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.745 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -82.94 173.49 7.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.94 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' A' ' 71' ' ' THR . 61.7 Cg_exo -49.7 -179.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.744 2.296 . . . . 0.0 113.485 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.454 ' H ' ' H ' ' B' ' 74' ' ' GLY . 1.3 tp60 -144.64 111.61 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.207 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.66 -83.5 0.33 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -103.3 -53.24 2.85 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.599 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.84 120.08 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.63 89.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.746 0.308 . . . . 0.0 110.22 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.488 HG21 ' CE2' ' B' ' 75' ' ' TYR . 0.2 OUTLIER -75.69 101.57 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.138 0.494 . . . . 0.0 110.841 -179.613 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.53 -149.55 12.13 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.03 72.88 0.4 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.54 141.44 25.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.15 -47.83 0.7 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.11 133.18 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.6 t -136.19 96.88 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.213 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.96 98.66 6.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.333 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 t -144.5 165.1 28.93 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.475 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.2 m -142.34 116.67 9.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.362 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.58 -177.35 4.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 111.176 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.45 174.95 5.7 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.576 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -147.07 147.31 30.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.158 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -107.38 -76.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.131 0.491 . . . . 0.0 111.213 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.52 67.52 0.96 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.47 116.56 29.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.539 0.209 . . . . 0.0 110.546 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.08 157.27 7.71 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.445 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.3 m -114.51 135.01 54.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.348 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.452 ' HB2' HG22 ' A' ' 68' ' ' THR . 7.9 t 59.96 -164.58 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.53 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.522 -179.926 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -110.37 112.18 23.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.538 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -148.19 100.86 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.723 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.49 -172.28 45.26 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 21.1 t80 63.4 146.66 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.652 0.263 . . . . 0.0 110.703 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t 175.95 94.21 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.91 155.6 0.62 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.611 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 26.1 t -67.06 137.68 56.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.512 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.3 m -120.29 130.66 54.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.062 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.44 124.07 11.81 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.157 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.89 -52.43 14.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 111.425 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -132.1 -178.94 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.793 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.39 70.48 1.24 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.34 71.63 0.07 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.85 95.22 0.39 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.8 88.53 0.11 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.931 0.396 . . . . 0.0 110.118 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.49 149.2 25.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.631 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.44 137.42 42.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -110.15 105.22 14.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 67.5 m -119.92 23.48 11.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.2 m -70.25 151.72 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.721 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -111.3 133.74 53.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.512 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.17 93.71 0.16 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.05 146.42 40.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.73 0.3 . . . . 0.0 110.407 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -135.3 144.73 46.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.05 58.58 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.39 132.4 39.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.487 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 52.7 m -133.52 134.93 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.82 -160.48 0.73 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.57 -62.47 1.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 111.028 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.66 -94.52 0.9 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.452 HG22 ' HB2' ' B' ' 96' ' ' SER . 21.2 p -116.16 112.15 21.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.888 0.375 . . . . 0.0 110.521 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.47 HE22 HG23 ' B' ' 71' ' ' THR . 6.9 tm0? -161.59 133.12 5.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.541 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -106.52 124.91 50.32 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -82.48 173.83 6.99 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.819 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' B' ' 71' ' ' THR . 70.0 Cg_exo -49.39 -177.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.782 2.321 . . . . 0.0 113.452 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.463 ' H ' ' H ' ' C' ' 74' ' ' GLY . 1.4 tp60 -147.07 110.6 4.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.118 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLY . . . . . 0.454 ' H ' ' H ' ' A' ' 73' ' ' GLN . . . 129.65 -83.52 0.32 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.488 ' CE2' HG21 ' A' ' 78' ' ' THR . 1.9 m-85 -102.7 -53.35 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.698 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.98 120.58 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.25 89.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.733 0.301 . . . . 0.0 110.226 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.487 HG21 ' CE2' ' C' ' 75' ' ' TYR . 0.2 OUTLIER -75.36 101.5 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.857 -179.607 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.67 -149.03 11.83 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.97 72.95 0.39 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.57 141.6 25.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.102 0.477 . . . . 0.0 111.343 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.13 -47.64 0.71 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.14 133.27 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.738 0.304 . . . . 0.0 110.501 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -136.3 96.91 3.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.163 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.95 98.38 6.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.366 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.05 165.14 28.61 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.506 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 64.7 m -142.39 116.61 9.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.403 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.63 -177.42 4.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.005 0.431 . . . . 0.0 111.239 -178.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 79.2 p -169.41 174.98 5.71 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.694 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.98 147.21 30.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.31 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -107.76 -76.81 0.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.075 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.4 67.94 0.96 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.36 116.34 29.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.547 0.213 . . . . 0.0 110.639 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.13 157.0 7.47 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.523 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.9 m -114.19 135.17 54.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.42 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' SER . . . . . 0.452 ' HB2' HG22 ' B' ' 68' ' ' THR . 7.9 t 59.98 -164.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.611 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -110.33 112.17 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -148.18 100.92 3.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.727 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.46 -172.27 45.25 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 t80 63.35 146.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.764 0.316 . . . . 0.0 110.714 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t 175.98 94.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.96 155.52 0.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.669 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -66.96 137.73 56.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.522 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -120.33 130.55 54.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.025 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -146.37 124.06 11.86 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.233 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.98 -52.41 14.59 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.404 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.06 -178.72 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.872 0.367 . . . . 0.0 110.744 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.23 70.58 1.23 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 30.27 71.72 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.92 95.18 0.39 Allowed Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.96 88.53 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.013 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -155.56 149.17 25.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 42.3 t -135.34 137.46 42.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.18 105.22 14.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 67.6 m -119.9 23.52 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.796 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.2 151.63 45.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.723 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -111.22 133.74 53.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.544 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.25 93.72 0.16 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.14 146.32 40.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 110.395 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -135.26 144.77 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.12 58.5 5.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.4 132.45 39.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.479 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 52.8 m -133.61 134.97 43.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -160.42 0.75 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -62.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.646 0.26 . . . . 0.0 110.995 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.75 -94.64 0.9 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.452 HG22 ' HB2' ' C' ' 96' ' ' SER . 21.1 p -116.15 112.22 21.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.496 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 69' ' ' GLN . . . . . 0.472 HE22 HG23 ' C' ' 71' ' ' THR . 6.9 tm0? -161.61 133.2 5.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.494 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -106.53 124.92 50.33 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.492 HG22 ' CD ' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -82.53 173.98 6.76 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.829 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 72' ' ' PRO . . . . . 0.492 ' CD ' HG22 ' C' ' 71' ' ' THR . 72.9 Cg_exo -49.46 -177.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.843 2.362 . . . . 0.0 113.378 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 73' ' ' GLN . . . . . 0.461 ' H ' ' H ' ' D' ' 74' ' ' GLY . 1.4 tp60 -147.18 110.62 4.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.074 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 74' ' ' GLY . . . . . 0.463 ' H ' ' H ' ' B' ' 73' ' ' GLN . . . 129.64 -83.54 0.32 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 75' ' ' TYR . . . . . 0.487 ' CE2' HG21 ' B' ' 78' ' ' THR . 1.9 m-85 -102.77 -53.26 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.675 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.98 120.52 0.01 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.38 89.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.483 HG21 ' CE2' ' D' ' 75' ' ' TYR . 0.2 OUTLIER -75.47 101.59 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.557 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.7 -149.06 11.83 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.01 72.92 0.4 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.51 141.65 24.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.121 0.486 . . . . 0.0 111.32 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.09 -47.62 0.71 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.09 133.21 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.746 0.307 . . . . 0.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.0 t -136.28 96.9 3.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.218 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.93 98.32 6.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.437 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.03 165.13 28.64 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.499 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 64.9 m -142.33 116.56 9.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.378 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.38 4.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.945 0.402 . . . . 0.0 111.275 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.3 p -169.42 174.96 5.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -146.96 147.21 30.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.265 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.79 -76.95 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.114 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.25 67.99 0.99 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.38 116.33 29.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.592 0.234 . . . . 0.0 110.636 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.07 156.98 7.52 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.533 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -114.2 135.04 54.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.523 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 96' ' ' SER . . . . . 0.452 ' HB2' HG22 ' C' ' 68' ' ' THR . 7.9 t 60.11 -164.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.456 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.591 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.3 112.07 23.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.558 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 43.4 t -148.14 100.97 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.743 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.45 -172.37 45.33 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 21.1 t80 63.37 146.65 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.741 0.305 . . . . 0.0 110.78 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 6.8 t 175.99 94.16 0.01 OUTLIER 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.97 155.6 0.61 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.617 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 25.8 t -67.03 137.8 56.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.533 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -120.47 130.31 54.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.149 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.18 124.2 12.09 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.177 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.13 -52.3 14.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.878 0.37 . . . . 0.0 111.373 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.13 -178.83 5.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.915 0.388 . . . . 0.0 110.807 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.26 70.63 1.22 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.25 71.87 0.06 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.96 95.24 0.4 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.86 88.6 0.11 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.07 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.63 149.2 25.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.4 137.43 42.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -110.16 105.15 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.509 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 68.1 m -119.82 23.52 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.759 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.24 151.67 45.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.727 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -111.19 133.77 53.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.17 93.77 0.16 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -139.16 146.29 40.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.673 0.273 . . . . 0.0 110.455 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 70.7 m -135.28 144.75 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.779 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.24 58.39 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.38 132.57 39.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.377 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 51.9 m -133.99 134.84 42.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.038 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.73 -160.4 0.7 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -62.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.649 0.261 . . . . 0.0 111.024 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.36 -94.53 0.91 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 68' ' ' THR . . . . . 0.45 HG22 ' HB2' ' D' ' 96' ' ' SER . 21.1 p -116.11 112.25 21.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.348 . . . . 0.0 110.695 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 69' ' ' GLN . . . . . 0.47 HE22 HG23 ' D' ' 71' ' ' THR . 6.9 tm0? -161.76 133.08 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.509 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -106.56 124.84 50.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.801 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 71' ' ' THR . . . . . 0.491 HG22 ' CD ' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -82.53 173.95 6.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.874 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 72' ' ' PRO . . . . . 0.491 ' CD ' HG22 ' D' ' 71' ' ' THR . 70.4 Cg_exo -49.45 -177.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.798 2.332 . . . . 0.0 113.451 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 73' ' ' GLN . . . . . 0.489 ' H ' ' H ' ' E' ' 74' ' ' GLY . 1.3 tp60 -147.13 110.56 4.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.125 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 74' ' ' GLY . . . . . 0.461 ' H ' ' H ' ' C' ' 73' ' ' GLN . . . 129.62 -83.49 0.32 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 75' ' ' TYR . . . . . 0.483 ' CE2' HG21 ' C' ' 78' ' ' THR . 1.9 m-85 -102.71 -53.42 2.87 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.672 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.15 120.64 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.35 89.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.326 . . . . 0.0 110.231 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 78' ' ' THR . . . . . 0.486 HG21 ' CE2' ' E' ' 75' ' ' TYR . 0.2 OUTLIER -75.22 101.35 4.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.981 -179.477 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.67 -149.04 11.84 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.9 73.06 0.38 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.56 141.63 24.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.096 0.474 . . . . 0.0 111.307 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.08 -47.48 0.72 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.01 133.3 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -136.29 96.89 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.183 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.96 98.38 6.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.406 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.11 165.08 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.559 -0.457 . . . . 0.0 111.435 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 64.4 m -142.34 116.6 9.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.351 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.54 -177.16 4.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.903 0.382 . . . . 0.0 111.261 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 78.9 p -169.56 174.87 5.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.679 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -146.89 147.07 30.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.272 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.75 -76.63 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.25 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.51 68.07 0.94 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.37 116.2 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.533 0.206 . . . . 0.0 110.699 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.01 156.98 7.6 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.496 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.18 135.12 54.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.459 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 96' ' ' SER . . . . . 0.45 ' HB2' HG22 ' D' ' 68' ' ' THR . 7.9 t 59.92 -164.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.467 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.615 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.28 111.76 23.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -147.82 100.54 3.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.55 -172.31 45.3 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 t80 63.46 146.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.726 0.298 . . . . 0.0 110.687 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 6.8 t 176.04 94.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.94 155.6 0.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.641 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 25.9 t -67.07 137.82 56.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.467 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -120.41 130.61 54.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.028 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -146.59 125.04 12.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 111.408 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -76.63 -49.18 16.85 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 119.248 -0.981 . . . . 0.0 111.559 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 7.7 t -130.81 -179.04 5.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.849 0.356 . . . . 0.0 111.284 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 49' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 75.0 70.88 1.2 Allowed Glycine 0 C--O 1.222 -0.625 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 50' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' E' ' 49' ' ' GLY . 12.1 m-85 26.87 76.44 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.281 0.632 . . . . 0.0 111.151 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.5 92.87 0.44 Allowed Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 68.78 88.77 0.11 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.95 0.405 . . . . 0.0 109.991 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.56 149.27 25.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.561 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.36 137.55 42.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.548 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -110.25 105.23 14.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.504 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 67.8 m -119.89 23.56 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -70.28 151.67 45.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.674 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.19 133.77 53.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.534 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.22 93.63 0.16 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -138.98 146.36 40.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.7 0.286 . . . . 0.0 110.453 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -135.35 144.77 46.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.742 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 48.83 59.1 4.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.72 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.88 132.63 39.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.306 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -133.73 134.92 43.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.18 -161.91 0.72 Allowed Glycine 0 CA--C 1.524 0.609 0 O-C-N 124.389 1.056 . . . . 0.0 110.641 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -45.79 -62.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.686 0.279 . . . . 0.0 111.104 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.94 -94.73 0.9 Allowed Glycine 0 N--CA 1.462 0.409 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 68' ' ' THR . . . . . 0.448 HG22 ' HB2' ' E' ' 96' ' ' SER . 21.2 p -116.21 111.94 20.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.675 0.867 . . . . 0.0 110.337 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 69' ' ' GLN . . . . . 0.472 HE22 HG23 ' E' ' 71' ' ' THR . 6.7 tm0? -161.36 134.24 6.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.272 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 70.7 m -107.55 126.66 52.81 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.41 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 71' ' ' THR . . . . . 0.489 HG22 ' CD ' ' E' ' 72' ' ' PRO . 0.0 OUTLIER -83.7 173.9 6.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 O-C-N 124.202 0.939 . . . . 0.0 109.511 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 72' ' ' PRO . . . . . 0.489 ' CD ' HG22 ' E' ' 71' ' ' THR . 66.3 Cg_exo -49.17 -178.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 123.133 2.555 . . . . 0.0 113.353 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 73' ' ' GLN . . . . . 0.469 ' H ' ' H ' ' F' ' 74' ' ' GLY . 1.5 tp60 -145.9 114.1 6.62 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.857 -1.065 . . . . 0.0 108.494 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 74' ' ' GLY . . . . . 0.489 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 127.3 -84.8 0.33 Allowed Glycine 0 CA--C 1.535 1.286 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 75' ' ' TYR . . . . . 0.486 ' CE2' HG21 ' D' ' 78' ' ' THR . 1.9 m-85 -102.23 -52.39 3.15 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.812 0.306 . . . . 0.0 110.904 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.52 120.99 0.01 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 2.5 t 48.17 91.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 78' ' ' THR . . . . . 0.482 HG21 ' CE2' ' F' ' 75' ' ' TYR . 0.2 OUTLIER -76.45 102.51 6.03 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.611 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.2 -148.78 11.37 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.85 72.82 0.41 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.82 140.86 28.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.256 0.551 . . . . 0.0 111.186 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.56 -44.61 0.82 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 168.8 133.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.851 0.358 . . . . 0.0 110.398 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 14.0 t -136.4 96.35 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.368 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.43 97.2 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.609 0.568 . . . . 0.0 110.286 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -143.45 164.95 28.88 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.441 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 64.8 m -142.32 116.69 9.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.437 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.95 -177.58 5.05 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.131 -178.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 79.6 p -169.16 175.46 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.603 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -147.15 147.15 30.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.326 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -107.53 -76.59 0.61 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.376 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.37 67.45 0.99 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -96.21 115.8 28.0 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.0 -0.118 . . . . 0.0 110.936 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -168.56 157.2 8.55 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.56 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -114.16 134.88 54.6 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.146 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 96' ' ' SER . . . . . 0.448 ' HB2' HG22 ' E' ' 68' ' ' THR . 7.9 t 60.34 -164.54 0.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.621 1.201 . . . . 0.0 110.416 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.55 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.32 112.12 23.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.603 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 43.5 t -148.15 100.98 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.728 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.4 -172.3 45.26 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 21.2 t80 63.41 146.65 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.69 0.281 . . . . 0.0 110.723 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t 175.98 94.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.92 155.46 0.61 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.962 0.411 . . . . 0.0 110.668 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 26.2 t -66.98 137.73 56.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.553 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -120.31 130.7 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.04 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -146.56 124.19 11.81 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.25 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.89 -52.59 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.396 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.01 -178.97 5.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.936 0.398 . . . . 0.0 110.787 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.36 70.79 1.2 Allowed Glycine 0 C--O 1.224 -0.52 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 29.97 71.81 0.06 Allowed 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.98 95.07 0.39 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.98 88.53 0.11 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.885 0.374 . . . . 0.0 110.057 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.52 149.23 25.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 42.3 t -135.47 137.42 42.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -110.14 105.13 14.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -119.8 23.48 11.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 75.5 m -70.32 151.71 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.65 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.29 133.72 53.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.474 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.29 93.62 0.16 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.07 146.41 40.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 110.377 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.34 144.73 46.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.758 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.17 58.54 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.54 132.41 39.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.42 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 53.6 m -133.44 135.23 44.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.99 -160.38 0.77 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.62 -62.7 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.663 0.268 . . . . 0.0 110.886 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.85 -94.74 0.91 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 68' ' ' THR . . . . . 0.447 HG22 ' HB2' ' F' ' 96' ' ' SER . 21.2 p -115.92 112.35 21.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 110.453 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 69' ' ' GLN . . . . . 0.471 HE22 HG23 ' F' ' 71' ' ' THR . 6.9 tm0? -161.71 133.18 5.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.466 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -106.55 124.79 50.14 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.813 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -82.45 173.88 6.91 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.855 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' F' ' 71' ' ' THR . 70.8 Cg_exo -49.4 -177.39 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.798 2.332 . . . . 0.0 113.465 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 73' ' ' GLN . . . . . 0.468 ' H ' ' H ' ' G' ' 74' ' ' GLY . 1.3 tp60 -147.16 110.46 4.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.139 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 74' ' ' GLY . . . . . 0.469 ' H ' ' H ' ' E' ' 73' ' ' GLN . . . 129.68 -83.53 0.32 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -179.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 75' ' ' TYR . . . . . 0.482 ' CE2' HG21 ' E' ' 78' ' ' THR . 1.9 m-85 -102.53 -53.41 2.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.697 0.284 . . . . 0.0 110.667 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.1 120.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.11 89.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.803 0.335 . . . . 0.0 110.339 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 78' ' ' THR . . . . . 0.482 HG21 ' CE2' ' G' ' 75' ' ' TYR . 0.2 OUTLIER -75.35 101.62 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.814 -179.472 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.62 -149.01 11.87 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.9 73.02 0.38 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.59 141.6 25.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.176 0.512 . . . . 0.0 111.237 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.1 -47.67 0.71 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.16 133.27 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.797 0.332 . . . . 0.0 110.542 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t -136.24 96.96 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.137 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.99 98.31 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.405 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.06 165.2 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.511 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 65.0 m -142.39 116.55 9.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.377 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.51 -177.31 4.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.934 0.397 . . . . 0.0 111.334 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.51 174.96 5.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.653 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.96 147.15 30.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.348 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -107.72 -77.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.054 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.18 67.96 1.0 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.27 116.35 29.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.481 0.181 . . . . 0.0 110.62 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.12 157.05 7.51 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.582 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.29 135.21 54.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.464 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 96' ' ' SER . . . . . 0.447 ' HB2' HG22 ' F' ' 68' ' ' THR . 7.9 t 59.89 -164.52 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.493 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.565 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.35 112.09 23.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -148.11 100.97 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.754 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.48 -172.28 45.26 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 21.2 t80 63.37 146.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.742 0.306 . . . . 0.0 110.679 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t 176.01 94.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 180.0 155.46 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.655 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 25.9 t -66.92 137.68 56.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.474 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 95.0 m -120.3 130.53 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.028 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.39 124.1 11.87 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.185 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.01 -52.39 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.441 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.08 -178.74 5.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.811 0.339 . . . . 0.0 110.789 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.21 70.56 1.23 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 30.34 71.68 0.07 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.89 95.13 0.39 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.87 88.62 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.885 0.374 . . . . 0.0 110.023 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.56 149.17 25.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.62 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -135.49 137.45 42.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.576 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -110.2 105.15 14.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 67.1 m -119.8 23.51 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -70.33 151.71 44.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.664 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -111.28 133.7 53.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.533 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.26 93.65 0.16 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.01 146.41 40.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.741 0.305 . . . . 0.0 110.422 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 70.5 m -135.3 144.79 46.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.941 0.401 . . . . 0.0 110.694 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.12 58.55 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.835 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.48 132.44 39.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.411 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 53.7 m -133.54 134.99 44.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.82 -160.38 0.72 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.58 -62.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 111.025 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.72 -94.63 0.9 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.076 -0.809 . . . . 0.0 111.076 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 68' ' ' THR . . . . . 0.445 HG22 ' HB2' ' G' ' 96' ' ' SER . 21.0 p -116.11 112.18 21.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.82 0.343 . . . . 0.0 110.506 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 69' ' ' GLN . . . . . 0.47 HE22 HG23 ' G' ' 71' ' ' THR . 6.9 tm0? -161.64 133.09 5.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.558 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -106.44 124.9 50.3 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.769 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -82.57 174.03 6.68 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.809 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' G' ' 71' ' ' THR . 71.7 Cg_exo -49.48 -177.36 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.777 2.318 . . . . 0.0 113.429 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 73' ' ' GLN . . . . . 0.465 ' H ' ' H ' ' H' ' 74' ' ' GLY . 1.3 tp60 -147.15 110.47 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.168 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 74' ' ' GLY . . . . . 0.468 ' H ' ' H ' ' F' ' 73' ' ' GLN . . . 129.66 -83.43 0.32 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 75' ' ' TYR . . . . . 0.482 ' CE2' HG21 ' F' ' 78' ' ' THR . 1.9 m-85 -102.7 -53.46 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.778 -0.248 . . . . 0.0 110.728 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.18 120.61 0.01 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 2.3 t 49.32 89.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 78' ' ' THR . . . . . 0.483 HG21 ' CE2' ' H' ' 75' ' ' TYR . 0.2 OUTLIER -75.36 101.49 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.831 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.64 -149.02 11.86 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.95 72.99 0.39 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.63 141.68 25.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 111.259 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.06 -47.57 0.71 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.04 133.33 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.844 0.355 . . . . 0.0 110.446 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 13.6 t -136.29 96.94 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.205 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -116.01 98.36 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.393 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 11.3 t -144.03 165.19 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.399 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 64.1 m -142.38 116.6 9.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.391 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.33 4.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.946 0.403 . . . . 0.0 111.325 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 79.0 p -169.46 174.94 5.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.607 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.93 147.14 30.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.342 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.76 -76.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.099 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.25 68.07 0.98 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.4 116.26 29.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.572 0.225 . . . . 0.0 110.614 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -169.06 157.02 7.56 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.558 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -114.16 135.14 54.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.427 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 96' ' ' SER . . . . . 0.445 ' HB2' HG22 ' G' ' 68' ' ' THR . 7.9 t 59.83 -164.45 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.609 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.36 112.14 23.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 43.5 t -148.2 101.01 3.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.74 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.44 -172.32 45.29 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 20.9 t80 63.38 146.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.725 0.297 . . . . 0.0 110.725 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 6.8 t 176.05 94.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.89 155.48 0.62 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.969 0.414 . . . . 0.0 110.587 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -67.01 137.77 56.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.501 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -120.36 130.52 54.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.065 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.36 124.17 11.94 Favored 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.209 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.11 -52.44 14.25 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.327 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.06 -178.85 5.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.89 0.376 . . . . 0.0 110.729 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.31 70.55 1.23 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.24 71.76 0.07 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.92 95.13 0.39 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.87 88.61 0.11 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.59 149.22 25.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.43 137.46 42.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -110.22 105.26 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.444 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 67.4 m -119.91 23.43 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.799 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.21 151.63 45.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.701 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.28 133.66 53.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.509 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.31 93.57 0.16 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -138.94 146.38 40.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.681 0.277 . . . . 0.0 110.5 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.35 144.72 46.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.777 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.15 58.51 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.5 132.51 39.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.367 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 52.0 m -133.62 134.97 43.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.84 -160.29 0.72 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -62.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.638 0.256 . . . . 0.0 111.012 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.69 -94.63 0.91 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 68' ' ' THR . . . . . 0.443 HG22 ' HB2' ' H' ' 96' ' ' SER . 21.2 p -116.18 112.26 21.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.476 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 69' ' ' GLN . . . . . 0.47 HE22 HG23 ' H' ' 71' ' ' THR . 6.9 tm0? -161.6 133.16 5.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.465 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -106.6 124.89 50.28 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.709 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -82.49 173.92 6.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.858 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' H' H ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' H' ' 71' ' ' THR . 70.0 Cg_exo -49.41 -177.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.861 2.374 . . . . 0.0 113.414 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 73' ' ' GLN . . . . . 0.461 ' H ' ' H ' ' I' ' 74' ' ' GLY . 1.3 tp60 -147.23 110.49 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.141 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 74' ' ' GLY . . . . . 0.465 ' H ' ' H ' ' G' ' 73' ' ' GLN . . . 129.75 -83.52 0.32 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 75' ' ' TYR . . . . . 0.483 ' CE2' HG21 ' G' ' 78' ' ' THR . 1.9 m-85 -102.62 -53.4 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.678 0.275 . . . . 0.0 110.727 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.1 120.66 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 2.3 t 49.26 89.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.718 0.294 . . . . 0.0 110.302 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 78' ' ' THR . . . . . 0.48 HG21 ' CE2' ' I' ' 75' ' ' TYR . 0.2 OUTLIER -75.32 101.61 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.8 -179.439 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.66 -149.01 11.84 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.98 72.97 0.39 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.61 141.59 25.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.106 0.479 . . . . 0.0 111.327 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.18 -47.64 0.71 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.07 133.35 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.808 0.337 . . . . 0.0 110.464 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 13.8 t -136.31 96.94 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.18 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.98 98.24 6.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.383 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -143.93 165.2 28.41 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.522 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 64.9 m -142.34 116.52 9.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.383 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.44 4.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.947 0.404 . . . . 0.0 111.257 -178.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.34 174.97 5.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.68 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.91 147.14 30.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.311 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -107.76 -76.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.26 68.06 0.98 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.31 116.14 28.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.538 0.209 . . . . 0.0 110.752 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -168.94 156.98 7.72 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.526 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.19 135.18 54.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.443 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 96' ' ' SER . . . . . 0.443 ' HB2' HG22 ' H' ' 68' ' ' THR . 7.9 t 59.97 -164.53 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.544 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.35 112.06 23.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 43.8 t -148.08 101.06 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.773 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.4 -172.4 45.34 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 21.2 t80 63.13 146.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t 176.13 93.99 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.814 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.66 155.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.637 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -66.75 137.98 57.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.446 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -120.66 130.44 54.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.042 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -146.2 125.51 13.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -74.71 -52.65 11.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -131.9 -178.8 5.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.852 0.358 . . . . 0.0 110.802 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.35 70.6 1.23 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.12 72.94 0.05 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.034 0.49 . . . . 0.0 112.141 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.04 94.97 0.47 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.9 87.99 0.12 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.921 0.391 . . . . 0.0 110.127 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.02 149.29 26.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.668 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -135.47 137.52 42.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.483 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -110.22 105.25 14.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.455 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 67.8 m -119.94 23.45 11.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 75.1 m -70.18 151.62 45.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.659 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -111.21 133.65 53.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 93.47 0.16 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -138.85 146.5 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.466 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 70.5 m -135.36 144.77 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.941 0.401 . . . . 0.0 110.718 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.15 58.39 5.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.42 132.52 39.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.437 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 52.0 m -133.52 135.29 44.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.09 -160.18 0.77 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.95 -62.54 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.467 0.175 . . . . 0.0 110.912 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.88 -94.78 0.91 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 68' ' ' THR . . . . . 0.444 HG22 ' HB2' ' I' ' 96' ' ' SER . 21.5 p -116.08 112.15 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.47 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 69' ' ' GLN . . . . . 0.473 HE22 HG23 ' I' ' 71' ' ' THR . 6.9 tm0? -161.65 133.13 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.279 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -106.25 125.44 51.0 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.75 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 71' ' ' THR . . . . . 0.485 HG22 ' CD ' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -82.88 173.84 6.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.696 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' I' I ' 72' ' ' PRO . . . . . 0.485 ' CD ' HG22 ' I' ' 71' ' ' THR . 77.7 Cg_exo -49.65 -176.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.837 2.358 . . . . 0.0 113.234 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -147.43 111.04 4.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.111 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 74' ' ' GLY . . . . . 0.461 ' H ' ' H ' ' H' ' 73' ' ' GLN . . . 129.78 -83.39 0.32 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 75' ' ' TYR . . . . . 0.48 ' CE2' HG21 ' H' ' 78' ' ' THR . 1.9 m-85 -102.31 -53.57 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.728 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.4 120.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.16 89.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.731 0.3 . . . . 0.0 110.216 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.13 101.58 4.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.872 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.61 -148.86 11.82 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.97 73.18 0.37 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.88 142.2 25.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.393 0.615 . . . . 0.0 111.078 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.97 -47.34 0.73 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 170.95 133.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.716 0.293 . . . . 0.0 110.525 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 14.3 t -136.35 96.91 3.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.204 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -116.03 98.28 6.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.311 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 11.6 t -144.02 164.65 30.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 111.512 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 63.0 m -141.82 116.67 9.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.481 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.6 -177.3 4.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.941 0.401 . . . . 0.0 111.309 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 79.2 p -169.5 174.98 5.64 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 5.2 p -146.86 147.09 30.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.403 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -108.21 -77.03 0.6 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.03 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.09 68.51 0.99 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -97.57 116.23 29.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.545 0.212 . . . . 0.0 110.677 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -169.09 156.99 7.51 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.485 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 69.3 m -114.38 135.04 54.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 96' ' ' SER . . . . . 0.444 ' HB2' HG22 ' I' ' 68' ' ' THR . 7.9 t 60.08 -164.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.457 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.532 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.27 -176.4 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.605 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -55.65 96.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.632 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.9 135.68 9.02 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -158.82 131.6 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.73 0.3 . . . . 0.0 110.52 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 t -143.46 133.05 23.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.537 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.47 132.06 10.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.448 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -130.33 147.66 52.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.646 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.4 p -134.24 135.1 42.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.3 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -143.1 144.63 32.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.425 HG22 ' N ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -120.07 -53.32 2.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.285 0.565 . . . . 0.0 110.751 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.425 ' N ' HG22 ' A' ' 47' ' ' THR . 54.1 p -132.7 -166.49 1.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.458 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -39.44 3.11 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.445 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.49 -166.62 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.24 -47.38 30.01 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.71 -81.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.945 0.438 . . . . 0.0 110.004 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.5 m -101.67 127.35 48.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.273 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -126.0 131.69 52.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.618 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -92.82 -174.45 3.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.513 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.4 m -138.39 154.76 48.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -163.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.811 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -123.77 24.39 8.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.605 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.0 135.67 2.38 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 53.28 40.86 31.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.685 0.279 . . . . 0.0 110.725 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.87 139.5 46.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.598 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.88 86.03 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.521 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.59 131.4 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.8 m -121.29 127.67 51.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.82 -162.08 0.29 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.29 -57.96 10.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.687 0.28 . . . . 0.0 111.306 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.55 -90.41 0.52 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.4 HG22 ' HB2' ' A' ' 96' ' ' SER . 19.4 p -116.31 110.97 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.25 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.89 160.65 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.484 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.2 m -118.36 122.45 42.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.348 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.42 173.29 6.97 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.101 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -43.72 167.16 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.702 2.268 . . . . 0.0 113.562 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.426 ' H ' ' H ' ' B' ' 74' ' ' GLY . 7.7 mp0 -143.26 111.44 6.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.148 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.72 -82.18 0.33 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.88 92.46 3.91 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.212 0.529 . . . . 0.0 110.456 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.77 -91.14 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.46 140.34 27.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.991 0.424 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.34 101.3 2.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.185 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.16 101.13 0.04 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.46 101.4 0.44 Allowed Glycine 0 CA--C 1.518 0.271 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -91.24 -70.61 0.68 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.058 0.456 . . . . 0.0 110.181 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.6 -59.2 1.22 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.46 136.12 16.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.787 0.327 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.36 101.5 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -131.92 126.81 35.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.779 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.4 p -149.31 175.73 11.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.053 0.454 . . . . 0.0 111.238 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t -147.41 125.44 12.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.06 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.92 175.51 13.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.941 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.3 p -170.98 177.55 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.807 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.0 p -162.38 165.59 26.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.264 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -81.09 -72.69 0.41 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.712 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.27 72.72 0.04 OUTLIER Glycine 0 CA--C 1.528 0.848 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.769 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.4 167.92 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.665 0.269 . . . . 0.0 110.538 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.53 145.31 51.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.22 125.19 46.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.319 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.4 ' HB2' HG22 ' A' ' 68' ' ' THR . 9.9 t 57.2 -163.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.546 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.578 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.28 -176.5 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 73.4 m -55.5 96.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.765 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.88 135.7 9.03 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -158.83 131.54 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.314 . . . . 0.0 110.539 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 46.7 t -143.34 133.1 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.532 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.48 132.1 10.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.478 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.21 147.59 51.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.739 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 81.6 p -134.29 134.69 42.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.364 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.61 144.29 32.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.749 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.422 HG22 ' N ' ' B' ' 48' ' ' SER . 1.0 OUTLIER -120.23 -53.11 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.066 0.46 . . . . 0.0 110.711 179.75 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.422 ' N ' HG22 ' B' ' 47' ' ' THR . 54.4 p -132.97 -166.44 1.76 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.401 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.65 -39.45 3.11 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.493 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.3 -167.1 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.94 -47.38 32.07 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.68 -81.57 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.932 0.43 . . . . 0.0 109.949 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -101.56 127.36 48.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.319 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.91 131.67 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.662 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -92.77 -174.39 3.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.554 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 63.4 m -138.51 154.75 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.2 -162.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.865 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.21 24.35 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.527 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.06 135.63 2.37 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.29 40.78 31.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.736 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.78 139.58 47.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.92 86.07 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.69 131.46 44.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 82.0 m -121.04 127.79 52.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.99 -162.0 0.3 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.4 -57.94 10.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.447 0.165 . . . . 0.0 111.228 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.78 -90.96 0.54 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.402 HG22 ' HB2' ' B' ' 96' ' ' SER . 19.9 p -115.95 111.01 19.77 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.85 160.6 10.43 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.458 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 61.4 m -118.19 122.24 42.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.88 173.56 6.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.943 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 83.0 Cg_exo -43.68 168.59 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.726 2.284 . . . . 0.0 113.395 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.438 ' H ' ' H ' ' C' ' 74' ' ' GLY . 7.6 mp0 -144.79 110.47 5.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.193 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLY . . . . . 0.426 ' H ' ' H ' ' A' ' 73' ' ' GLN . . . 119.73 -81.95 0.34 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.73 92.48 3.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.819 0.342 . . . . 0.0 110.365 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.84 -90.85 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -145.36 140.32 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.22 100.89 2.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.263 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.96 101.26 0.04 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.43 101.27 0.43 Allowed Glycine 0 CA--C 1.519 0.288 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -91.52 -70.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.188 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.69 -58.98 1.22 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.53 136.27 16.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.746 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.45 101.57 2.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.316 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.16 125.79 32.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -148.18 176.04 10.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.057 0.456 . . . . 0.0 111.311 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 44.6 t -147.43 125.31 11.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.136 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.87 175.54 13.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.388 . . . . 0.0 110.907 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.09 177.47 3.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.757 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 95.2 p -162.2 165.44 26.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -81.16 -72.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.565 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.08 72.53 0.04 OUTLIER Glycine 0 CA--C 1.527 0.794 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.697 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.27 167.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.652 0.263 . . . . 0.0 110.522 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.5 145.29 51.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -121.23 125.3 46.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.256 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' SER . . . . . 0.402 ' HB2' HG22 ' B' ' 68' ' ' THR . 9.9 t 57.18 -163.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.594 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.26 -176.45 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 73.6 m -55.73 96.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.676 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.95 135.64 9.01 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -158.8 131.57 7.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.712 0.291 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 46.3 t -143.4 133.1 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.573 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.47 132.04 10.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.476 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -130.2 147.54 51.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.723 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.3 134.75 42.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.302 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -142.67 144.31 32.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.719 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' THR . . . . . 0.421 HG22 ' N ' ' C' ' 48' ' ' SER . 1.0 OUTLIER -120.16 -53.3 2.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.042 0.449 . . . . 0.0 110.85 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 48' ' ' SER . . . . . 0.421 ' N ' HG22 ' C' ' 47' ' ' THR . 54.3 p -132.85 -166.43 1.75 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.437 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.66 -39.57 3.1 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.459 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.4 -167.09 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.97 -47.38 31.91 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.7 -81.66 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.973 0.455 . . . . 0.0 109.962 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 67.3 m -101.58 127.37 48.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.31 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.93 131.7 52.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.616 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -92.86 -174.36 3.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 62.4 m -138.58 154.72 48.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.821 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -162.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.941 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -124.3 24.38 8.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.05 135.69 2.38 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.33 40.72 31.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 0.0 110.719 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.81 139.56 47.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.85 86.11 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.522 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.69 131.47 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.617 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 80.4 m -121.08 127.88 52.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -161.99 0.32 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.36 -58.04 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.543 0.211 . . . . 0.0 111.199 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.82 -90.92 0.54 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.8 p -115.97 111.05 19.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.85 160.61 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.181 -0.607 . . . . 0.0 111.383 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 59.7 m -118.25 122.38 42.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.329 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.9 173.56 6.75 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 72' ' ' PRO . . . . . 0.401 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 81.5 Cg_exo -43.62 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.662 2.241 . . . . 0.0 113.414 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 73' ' ' GLN . . . . . 0.437 ' H ' ' H ' ' D' ' 74' ' ' GLY . 7.5 mp0 -144.9 110.45 5.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.188 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 74' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' B' ' 73' ' ' GLN . . . 119.88 -82.01 0.34 Allowed Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.78 92.56 3.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 0.0 110.307 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.87 -90.73 0.01 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -145.4 140.38 27.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.438 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.25 100.94 2.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.187 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.07 101.29 0.04 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.41 101.23 0.42 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -91.49 -70.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.373 . . . . 0.0 110.182 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.66 -59.05 1.22 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -152.5 136.28 16.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.32 . . . . 0.0 110.767 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.45 101.57 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.34 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -132.18 125.69 31.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.884 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 92.6 p -148.12 176.02 10.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.957 0.408 . . . . 0.0 111.262 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.4 125.35 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.107 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.92 175.45 13.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.922 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -170.99 177.45 3.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.756 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 96.2 p -162.22 165.49 26.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.45 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -81.14 -72.8 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.18 72.48 0.04 OUTLIER Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.622 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.25 167.79 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.73 0.3 . . . . 0.0 110.48 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.52 145.26 51.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -121.22 125.19 46.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.33 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 10.0 t 57.27 -163.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.479 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 66.9 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.535 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.32 -176.5 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -55.61 96.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.679 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.96 135.72 9.04 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -158.8 131.73 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.669 0.271 . . . . 0.0 110.626 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 46.6 t -143.51 133.15 23.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.598 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.48 132.02 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.459 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.21 147.61 51.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.742 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 81.5 p -134.22 134.78 42.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.456 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.63 144.21 32.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.647 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 47' ' ' THR . . . . . 0.425 HG22 ' N ' ' D' ' 48' ' ' SER . 1.0 OUTLIER -120.25 -53.09 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.04 0.448 . . . . 0.0 110.537 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 48' ' ' SER . . . . . 0.425 ' N ' HG22 ' D' ' 47' ' ' THR . 54.4 p -133.02 -166.35 1.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.488 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -39.48 3.11 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.406 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.55 -166.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.23 -47.35 30.21 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.78 -81.7 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 122.747 0.419 . . . . 0.0 110.012 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 67.9 m -101.5 127.37 48.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.303 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.84 131.73 52.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.671 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -92.84 -174.24 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.452 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.71 154.76 48.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -162.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.872 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.29 24.32 8.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.556 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.03 135.66 2.38 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 53.24 40.77 31.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.834 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 47.6 t -72.86 139.61 47.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.537 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.89 85.93 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.62 131.38 44.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 76.6 m -121.25 127.46 51.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.021 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.78 -161.91 0.27 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.51 -57.64 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.49 0.186 . . . . 0.0 111.197 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.42 -90.8 0.54 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 68' ' ' THR . . . . . 0.4 HG22 ' HB2' ' D' ' 96' ' ' SER . 19.6 p -115.94 110.7 19.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.579 0.228 . . . . 0.0 110.574 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.7 160.74 10.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.449 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 60.4 m -118.29 122.41 42.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.378 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.92 173.61 6.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.95 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 72' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 83.7 Cg_exo -43.69 168.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.713 2.275 . . . . 0.0 113.406 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 73' ' ' GLN . . . . . 0.471 ' H ' ' H ' ' E' ' 74' ' ' GLY . 7.6 mp0 -144.89 110.4 5.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.242 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 74' ' ' GLY . . . . . 0.437 ' H ' ' H ' ' C' ' 73' ' ' GLN . . . 119.82 -81.89 0.34 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 92.55 3.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 110.4 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.84 -90.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.4 140.54 27.71 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.38 100.96 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.563 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.91 101.08 0.04 OUTLIER Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.41 101.4 0.44 Allowed Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -91.51 -70.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.976 0.417 . . . . 0.0 110.216 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -59.04 1.22 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -152.5 136.31 16.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.48 101.52 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.361 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.12 125.76 32.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 93.0 p -148.18 176.08 10.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 111.309 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t -147.51 125.32 11.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.026 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.9 175.42 13.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.977 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -171.0 177.55 3.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.675 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 95.5 p -162.22 165.43 26.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.507 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -81.15 -72.77 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.584 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.12 72.5 0.04 OUTLIER Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.606 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.33 167.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.712 0.292 . . . . 0.0 110.508 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.48 145.28 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.17 125.17 46.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.32 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 96' ' ' SER . . . . . 0.4 ' HB2' HG22 ' D' ' 68' ' ' THR . 10.0 t 57.25 -163.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.499 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 67.4 t80 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.618 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.18 -176.37 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 72.8 m -55.09 95.43 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.309 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.3 135.76 9.03 Favored Glycine 0 C--N 1.337 0.586 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -158.99 131.58 6.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.738 0.304 . . . . 0.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 46.5 t -143.41 133.06 23.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.595 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.42 132.05 10.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.543 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.25 147.57 51.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.739 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 82.2 p -134.35 134.89 42.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.241 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -142.05 144.53 33.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.784 0.678 . . . . 0.0 110.954 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 47' ' ' THR . . . . . 0.457 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -121.25 -49.39 2.17 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 119.184 -1.006 . . . . 0.0 112.244 177.209 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 48' ' ' SER . . . . . 0.457 ' N ' HG22 ' E' ' 47' ' ' THR . 53.3 p -131.08 -165.81 1.61 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.681 0.753 . . . . 0.0 110.76 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.05 -32.22 3.56 Favored Glycine 0 C--N 1.313 -0.739 0 CA-C-O 118.286 -1.285 . . . . 0.0 111.851 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 167.33 -166.58 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 118.902 1.351 . . . . 0.0 108.605 176.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.85 -44.06 25.99 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 119.42 -1.372 . . . . 0.0 111.109 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.25 -83.72 0.0 OUTLIER 'General case' 0 C--N 1.346 0.453 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 68.0 m -100.65 127.41 47.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.144 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -126.02 131.64 52.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.612 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -92.81 -174.36 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.461 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 63.3 m -138.55 154.7 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.761 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -162.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.934 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -124.11 24.29 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.09 135.69 2.38 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.27 40.73 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 0.0 110.807 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 47.7 t -72.84 139.58 47.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.619 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.82 85.75 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.592 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.52 131.43 44.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.62 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 77.0 m -121.05 127.79 52.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.642 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.52 -162.34 0.28 Allowed Glycine 0 CA--C 1.524 0.638 0 O-C-N 124.002 0.814 . . . . 0.0 111.153 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.23 -58.43 8.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.5 0.19 . . . . 0.0 111.096 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.13 -91.3 0.54 Allowed Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 68' ' ' THR . . . . . 0.401 HG22 ' HB2' ' E' ' 96' ' ' SER . 19.8 p -115.88 110.58 19.22 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.398 0.705 . . . . 0.0 110.192 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.31 161.02 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.19 -0.604 . . . . 0.0 111.417 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 58.9 m -118.73 123.38 44.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.212 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.86 173.43 6.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 O-C-N 124.75 1.281 . . . . 0.0 109.543 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 85.0 Cg_exo -43.74 168.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.667 2.245 . . . . 0.0 113.253 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 73' ' ' GLN . . . . . 0.441 ' H ' ' H ' ' F' ' 74' ' ' GLY . 7.2 mp0 -144.6 114.15 7.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.546 178.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 74' ' ' GLY . . . . . 0.471 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 117.42 -82.98 0.33 Allowed Glycine 0 CA--C 1.539 1.588 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -178.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.69 90.79 3.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 122.754 -0.262 . . . . 0.0 111.049 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.64 -90.86 0.01 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.57 140.19 27.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.024 0.44 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.46 101.02 3.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.45 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.64 103.06 0.07 OUTLIER Glycine 0 CA--C 1.526 0.78 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.85 102.37 0.63 Allowed Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -90.11 -72.71 0.55 Allowed 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 121.59 0.709 . . . . 0.0 110.6 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.61 -59.27 1.28 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 47.4 t -152.38 136.2 16.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.706 0.289 . . . . 0.0 110.796 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -150.23 100.31 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -131.39 125.03 31.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 93.0 p -148.09 175.68 10.82 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.125 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.38 125.39 12.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.072 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.03 175.27 14.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.888 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 83.7 p -170.14 178.39 3.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 97.5 p -162.63 165.31 25.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.477 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -80.88 -72.43 0.42 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.967 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.83 70.3 0.04 OUTLIER Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.821 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.32 167.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.964 0.382 . . . . 0.0 110.59 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.51 145.3 51.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -121.14 125.17 46.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.138 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 96' ' ' SER . . . . . 0.401 ' HB2' HG22 ' E' ' 68' ' ' THR . 10.1 t 57.3 -163.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.501 0.501 . . . . 0.0 110.494 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 67.1 t80 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.55 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.36 -176.54 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 73.4 m -55.56 96.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.697 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.89 135.56 8.98 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -158.82 131.33 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.683 0.278 . . . . 0.0 110.49 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 46.6 t -143.27 133.07 23.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.534 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.42 132.13 10.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.546 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -130.28 147.51 52.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.2 134.69 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.356 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -142.51 144.17 32.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.799 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 47' ' ' THR . . . . . 0.428 HG22 ' N ' ' F' ' 48' ' ' SER . 1.0 OUTLIER -120.17 -53.3 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 110.694 179.743 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 48' ' ' SER . . . . . 0.428 ' N ' HG22 ' F' ' 47' ' ' THR . 54.2 p -132.78 -166.41 1.75 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.448 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.59 -39.44 3.11 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.497 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.31 -167.2 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.93 -47.36 32.27 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.72 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 124.015 0.479 . . . . 0.0 109.977 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 67.5 m -101.63 127.35 48.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.28 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.91 131.59 52.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.729 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.77 -174.44 3.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.47 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 63.3 m -138.55 154.73 48.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -162.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.899 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.2 24.27 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.98 135.68 2.38 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.33 40.73 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.338 . . . . 0.0 110.748 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.74 139.75 47.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.609 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.97 86.04 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.79 131.54 44.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 81.4 m -121.1 128.43 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.46 -161.83 0.37 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.35 -58.38 8.76 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.201 -0.199 . . . . 0.0 111.159 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.05 -91.08 0.54 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 68' ' ' THR . . . . . 0.404 HG22 ' HB2' ' F' ' 96' ' ' SER . 19.7 p -115.68 111.23 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.98 160.75 10.27 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.378 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 59.5 m -118.36 122.36 42.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.277 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.92 173.64 6.64 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 72' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 82.9 Cg_exo -43.65 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.788 2.325 . . . . 0.0 113.325 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 73' ' ' GLN . . . . . 0.444 ' H ' ' H ' ' G' ' 74' ' ' GLY . 7.6 mp0 -144.91 110.37 5.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.195 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 74' ' ' GLY . . . . . 0.441 ' H ' ' H ' ' E' ' 73' ' ' GLN . . . 119.91 -81.99 0.34 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.63 92.46 3.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.341 . . . . 0.0 110.384 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.8 -90.87 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.47 140.45 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.055 0.455 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.35 100.81 2.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.212 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.86 101.33 0.04 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.36 101.07 0.41 Allowed Glycine 0 CA--C 1.518 0.243 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -91.35 -70.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.343 . . . . 0.0 110.145 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -59.03 1.22 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.44 136.2 16.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.38 101.46 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.391 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.07 125.73 32.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 93.2 p -148.09 176.1 10.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.011 0.434 . . . . 0.0 111.334 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.43 125.35 12.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.113 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.84 175.47 13.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.958 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.03 177.54 3.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.744 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 95.8 p -162.31 165.48 26.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.455 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -81.29 -72.86 0.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.514 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.29 72.48 0.04 OUTLIER Glycine 0 CA--C 1.525 0.673 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.576 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.31 167.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 110.435 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.54 145.3 51.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.8 m -121.23 125.29 46.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.325 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 96' ' ' SER . . . . . 0.404 ' HB2' HG22 ' F' ' 68' ' ' THR . 10.0 t 57.18 -163.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.551 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.612 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.3 -176.46 4.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.547 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 73.4 m -55.61 96.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.668 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.9 135.59 8.99 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -158.68 131.55 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.692 0.282 . . . . 0.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 46.2 t -143.4 133.0 23.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.626 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.32 132.18 10.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -130.24 147.6 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.748 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.3 134.82 42.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.276 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.73 144.23 32.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.743 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 47' ' ' THR . . . . . 0.428 HG22 ' N ' ' G' ' 48' ' ' SER . 1.0 OUTLIER -120.26 -53.04 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.037 0.446 . . . . 0.0 110.699 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 48' ' ' SER . . . . . 0.428 ' N ' HG22 ' G' ' 47' ' ' THR . 54.3 p -133.0 -166.42 1.76 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.438 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.68 -39.56 3.1 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.467 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.37 -167.12 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.93 -47.42 31.98 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.75 -81.63 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 124.014 0.479 . . . . 0.0 109.903 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 67.0 m -101.56 127.43 48.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.316 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.96 131.66 52.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.608 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -92.74 -174.34 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.54 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.54 154.78 48.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.731 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -162.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.888 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.21 24.29 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.518 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.06 135.62 2.37 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.4 40.72 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.693 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.74 139.53 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.9 86.07 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.509 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.74 131.5 44.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 81.0 m -121.02 127.92 52.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.774 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -161.8 0.31 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.62 -58.02 10.25 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.14 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.81 -90.92 0.54 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 68' ' ' THR . . . . . 0.407 HG22 ' HB2' ' G' ' 96' ' ' SER . 19.8 p -115.91 111.04 19.84 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.82 160.69 10.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.53 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 60.8 m -118.29 122.36 42.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.384 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.95 173.59 6.71 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.926 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 83.0 Cg_exo -43.61 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.733 2.289 . . . . 0.0 113.389 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 73' ' ' GLN . . . . . 0.445 ' H ' ' H ' ' H' ' 74' ' ' GLY . 7.5 mp0 -144.99 110.49 5.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.049 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 74' ' ' GLY . . . . . 0.444 ' H ' ' H ' ' F' ' 73' ' ' GLN . . . 119.87 -81.91 0.34 Allowed Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.8 92.56 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.91 -90.76 0.01 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.44 140.37 27.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.963 0.411 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.23 100.8 2.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.299 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.93 101.35 0.04 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.4 101.22 0.42 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -91.49 -70.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.781 0.325 . . . . 0.0 110.154 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.59 -59.12 1.22 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -152.43 136.38 16.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 0.0 110.751 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.56 101.55 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.311 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -132.08 125.58 31.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.995 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -147.99 176.07 10.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 111.348 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 44.5 t -147.48 125.33 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.046 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.85 175.46 13.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.992 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -171.04 177.53 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.793 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 95.7 p -162.23 165.5 26.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.498 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -81.22 -72.93 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.538 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.28 72.54 0.04 OUTLIER Glycine 0 CA--C 1.528 0.85 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.559 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.19 167.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.674 0.274 . . . . 0.0 110.539 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.53 145.28 51.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -121.16 125.22 46.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 96' ' ' SER . . . . . 0.407 ' HB2' HG22 ' G' ' 68' ' ' THR . 10.0 t 57.1 -163.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.521 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 67.2 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.613 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.3 -176.53 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -55.62 96.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.706 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.82 135.65 9.01 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -158.82 131.57 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 110.497 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 46.7 t -143.45 133.04 23.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.529 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.36 132.1 10.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.487 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 58.8 m -130.25 147.51 51.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.724 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 81.7 p -134.2 134.73 42.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.338 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.65 144.12 32.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.732 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 47' ' ' THR . . . . . 0.427 HG22 ' N ' ' H' ' 48' ' ' SER . 1.0 OUTLIER -120.1 -53.25 2.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.055 0.455 . . . . 0.0 110.691 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' H' H ' 48' ' ' SER . . . . . 0.427 ' N ' HG22 ' H' ' 47' ' ' THR . 54.4 p -132.91 -166.38 1.75 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.429 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.61 -39.46 3.11 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.444 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.35 -167.17 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.86 -47.46 32.24 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.78 -81.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.964 0.45 . . . . 0.0 109.939 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 67.1 m -101.51 127.34 48.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.358 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.91 131.76 52.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.603 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.88 -174.48 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.433 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.44 154.82 48.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.754 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -162.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.84 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.2 24.25 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.04 135.65 2.37 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.32 40.72 31.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.786 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 47.7 t -72.81 139.65 47.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.526 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.93 85.98 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.485 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.7 131.52 44.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 79.9 m -121.07 127.94 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.748 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.16 -161.86 0.32 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.4 -58.12 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.518 0.199 . . . . 0.0 111.193 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.84 -90.91 0.54 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 68' ' ' THR . . . . . 0.41 HG22 ' HB2' ' H' ' 96' ' ' SER . 19.8 p -115.89 111.08 19.92 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.83 160.75 10.57 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.446 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 61.0 m -118.33 122.31 42.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.376 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.87 173.58 6.73 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.945 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 84.6 Cg_exo -43.72 168.76 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.719 2.279 . . . . 0.0 113.338 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 73' ' ' GLN . . . . . 0.441 ' H ' ' H ' ' I' ' 74' ' ' GLY . 7.6 mp0 -144.95 110.46 5.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.18 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 74' ' ' GLY . . . . . 0.445 ' H ' ' H ' ' G' ' 73' ' ' GLN . . . 119.89 -82.09 0.34 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.59 92.59 3.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.828 0.347 . . . . 0.0 110.346 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.77 -90.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.4 140.41 27.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.985 0.421 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.31 100.76 2.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.278 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.78 101.28 0.04 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.136 -1.185 . . . . 0.0 110.136 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.33 101.27 0.42 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -91.59 -70.45 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -58.92 1.23 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -152.51 136.29 16.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.754 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.43 101.59 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.313 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -132.11 125.57 31.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.94 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -147.98 176.03 10.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.019 0.438 . . . . 0.0 111.353 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 44.3 t -147.37 125.43 12.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.043 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.88 175.51 13.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.954 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.11 177.52 3.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.765 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 96.1 p -162.27 165.42 26.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.495 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -81.09 -72.95 0.4 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.536 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.29 72.42 0.04 OUTLIER Glycine 0 CA--C 1.526 0.74 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.579 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.17 167.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 110.512 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.44 145.36 51.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.22 125.29 46.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.302 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 96' ' ' SER . . . . . 0.41 ' HB2' HG22 ' H' ' 68' ' ' THR . 9.9 t 57.12 -163.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.555 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 67.0 t80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.56 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.25 -176.51 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.558 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 73.4 m -55.59 96.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.757 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.97 135.64 9.01 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -158.83 131.56 6.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.533 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 46.3 t -143.46 132.99 23.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.582 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.36 132.1 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 57.5 m -130.23 147.35 51.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.815 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 81.3 p -134.15 134.58 42.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.385 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -142.84 142.89 31.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.894 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 47' ' ' THR . . . . . 0.423 HG22 ' N ' ' I' ' 48' ' ' SER . 1.0 OUTLIER -119.12 -53.3 2.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.844 179.649 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 48' ' ' SER . . . . . 0.423 ' N ' HG22 ' I' ' 47' ' ' THR . 54.4 p -132.7 -166.2 1.71 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.533 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.68 -39.43 3.11 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 169.97 -167.69 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.29 -47.61 35.4 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.92 -81.56 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.962 0.448 . . . . 0.0 109.947 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -101.68 127.47 48.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 110.189 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -126.04 131.66 52.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -92.9 -174.53 3.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.474 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 63.5 m -138.26 154.93 49.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.788 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.864 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -124.2 24.39 8.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.05 135.69 2.38 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 53.26 40.74 31.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.725 0.298 . . . . 0.0 110.783 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.75 139.62 47.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.92 86.07 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.526 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.79 131.55 44.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.484 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 77.9 m -120.96 128.09 52.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.719 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.34 -161.8 0.35 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.51 -58.08 10.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.254 -0.179 . . . . 0.0 111.067 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.81 -91.04 0.54 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 68' ' ' THR . . . . . 0.413 HG22 ' HB2' ' I' ' 96' ' ' SER . 20.1 p -115.9 110.99 19.78 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.89 160.74 10.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 60.5 m -117.97 122.94 44.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.319 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.13 173.29 7.05 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.807 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -43.95 169.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.7 2.267 . . . . 0.0 113.163 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -145.05 110.87 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.231 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 74' ' ' GLY . . . . . 0.441 ' H ' ' H ' ' H' ' 73' ' ' GLN . . . 120.01 -81.83 0.34 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.5 92.68 3.99 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.87 -90.51 0.01 OUTLIER Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.5 140.34 27.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.402 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.15 100.95 2.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.281 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.28 101.65 0.05 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.29 101.1 0.4 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -91.84 -70.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.221 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.69 -58.85 1.23 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -152.5 136.34 16.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.844 0.354 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.52 101.48 2.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.379 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -132.03 125.5 31.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.781 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 92.1 p -148.07 175.61 10.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.983 0.421 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.02 125.39 12.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.092 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.01 174.91 14.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.966 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -170.46 177.55 4.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 96.1 p -162.21 165.2 27.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -81.11 -72.56 0.42 Allowed 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.521 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 168.68 72.17 0.03 OUTLIER Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.351 -0.928 . . . . 0.0 111.429 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.23 167.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.746 0.308 . . . . 0.0 110.522 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.41 145.31 51.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.8 m -121.3 125.23 46.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.209 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 96' ' ' SER . . . . . 0.413 ' HB2' HG22 ' I' ' 68' ' ' THR . 10.0 t 57.15 -163.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 67.0 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.578 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -108.95 111.3 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.644 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.3 t -150.63 100.32 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.38 178.37 16.37 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -112.51 128.4 56.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.866 0.365 . . . . 0.0 110.505 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.08 -170.27 2.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.62 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.9 -163.08 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.732 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.1 p -71.19 160.92 31.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -141.08 153.88 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.667 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -150.59 163.34 38.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.315 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -123.17 -53.39 1.83 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.594 -179.666 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 47' ' ' THR . 68.6 m -133.8 135.38 43.79 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.003 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.51 76.02 1.03 Allowed Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.319 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 32.35 68.48 0.13 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.907 0.416 . . . . 0.0 112.084 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.76 94.95 0.31 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 66.77 96.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 0.0 110.12 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.88 147.82 15.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.337 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.81 135.19 55.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.787 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -128.79 131.27 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.444 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.96 -42.08 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.286 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.5 t -153.14 96.79 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.228 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -90.23 77.2 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.679 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.67 -165.28 50.43 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.29 -35.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.678 0.275 . . . . 0.0 110.614 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -132.09 148.44 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.75 56.32 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.407 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -101.36 129.01 47.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.8 m -132.51 136.78 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.05 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.1 -160.45 1.64 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.85 -55.77 7.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.36 . . . . 0.0 111.099 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.85 -92.06 0.97 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.1 p -115.69 130.42 56.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.121 0.486 . . . . 0.0 110.507 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -161.63 129.96 4.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.629 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' HG23 ' B' ' 71' ' ' THR . 23.1 p -109.93 141.59 42.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.672 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.43 ' C ' ' OG1' ' B' ' 71' ' ' THR . 61.7 p -92.59 161.92 30.86 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.56 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -88.54 108.16 0.52 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.889 2.393 . . . . 0.0 113.428 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -58.81 159.02 7.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.635 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.41 -97.6 1.49 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.46 ' CE2' HG23 ' A' ' 78' ' ' THR . 0.1 OUTLIER -123.8 42.73 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.213 0.53 . . . . 0.0 110.606 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.17 136.1 51.27 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.81 89.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.842 0.353 . . . . 0.0 110.189 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.46 HG23 ' CE2' ' A' ' 75' ' ' TYR . 63.4 m -101.24 104.56 15.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.11 0.481 . . . . 0.0 110.493 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.42 -144.96 12.32 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.09 71.83 0.52 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -53.61 134.09 41.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.535 0.207 . . . . 0.0 110.953 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.89 -47.35 0.57 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 172.48 131.37 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.949 0.404 . . . . 0.0 110.809 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.3 m -134.75 91.83 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.61 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -54.54 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.591 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 p -163.74 -177.14 4.99 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.134 -0.626 . . . . 0.0 112.021 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -164.45 148.4 9.41 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.773 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.65 130.43 52.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.745 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.09 161.55 8.61 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.936 0.398 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.466 ' HG ' ' HD1' ' A' ' 91' ' ' TYR . 87.9 p -162.81 -174.44 3.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.466 ' HD1' ' HG ' ' A' ' 90' ' ' SER . 65.5 m-85 58.09 72.47 0.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.742 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.64 52.56 0.57 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.48 170.82 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.597 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.52 158.81 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.37 178.59 7.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.451 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.0 t -138.76 140.52 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.592 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.562 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -108.95 111.32 22.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.574 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.3 t -150.68 100.35 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.42 178.42 16.37 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -112.4 128.52 56.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.16 -170.29 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.559 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.89 -163.04 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.687 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 82.2 p -71.25 160.95 31.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.008 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.16 153.54 45.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.673 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.18 163.23 38.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.466 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.402 HG22 ' N ' ' B' ' 48' ' ' SER . 1.0 OUTLIER -123.41 -53.29 1.81 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.574 -179.719 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.402 ' N ' HG22 ' B' ' 47' ' ' THR . 70.8 m -133.59 135.72 44.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.959 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 104.88 78.4 1.22 Allowed Glycine 0 C--O 1.222 -0.616 0 C-N-CA 120.321 -0.942 . . . . 0.0 111.965 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' B' ' 49' ' ' GLY . 66.3 m-85 29.96 68.9 0.09 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.0 95.02 0.33 Allowed Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.91 96.37 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.884 0.374 . . . . 0.0 110.09 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.81 147.73 15.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.328 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -120.75 135.25 55.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.88 131.28 47.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.408 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.99 -42.07 5.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.94 0.4 . . . . 0.0 110.265 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.1 96.7 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.31 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -90.15 77.21 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.766 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.72 -165.13 50.72 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.42 -35.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 110.523 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 43.5 t -131.87 148.51 52.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.543 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.62 56.34 5.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.48 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.45 128.88 47.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.559 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 50.9 m -132.3 136.93 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.2 -160.31 1.66 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -55.73 7.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.697 0.284 . . . . 0.0 111.022 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.03 -92.41 0.99 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -115.43 130.87 57.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.37 . . . . 0.0 110.496 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.84 129.9 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.568 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' SER . . . . . 0.446 ' O ' HG23 ' C' ' 71' ' ' THR . 23.7 p -109.89 141.54 42.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.534 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.446 ' C ' ' OG1' ' C' ' 71' ' ' THR . 53.1 p -93.0 162.81 27.59 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.467 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -89.01 106.75 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 123.22 2.613 . . . . 0.0 113.892 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -57.43 158.89 5.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.792 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.65 -97.55 1.47 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.464 ' CE2' HG23 ' B' ' 78' ' ' THR . 0.1 OUTLIER -123.21 41.35 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.401 . . . . 0.0 110.658 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.96 136.28 51.0 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.75 89.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 110.218 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.464 HG23 ' CE2' ' B' ' 75' ' ' TYR . 66.1 m -101.06 104.37 15.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.3 -144.03 11.81 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.8 71.85 0.51 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -53.66 134.36 41.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.813 0.339 . . . . 0.0 110.938 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.81 -47.18 0.58 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.47 131.38 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 73.0 m -134.73 91.84 2.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.632 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.41 -87.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 72.6 p -163.4 -176.12 4.58 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.885 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.46 148.22 7.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.49 130.55 52.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.795 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.21 161.59 8.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.873 0.368 . . . . 0.0 111.179 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.456 ' HG ' ' HD1' ' B' ' 91' ' ' TYR . 87.8 p -162.95 -174.64 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.736 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.456 ' HD1' ' HG ' ' B' ' 90' ' ' SER . 66.6 m-85 57.77 72.37 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.055 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.85 52.2 0.58 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.35 171.12 9.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.632 0.254 . . . . 0.0 110.503 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.76 158.74 9.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.46 178.46 7.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.488 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -138.55 140.58 39.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -108.99 111.31 22.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.536 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -150.66 100.4 2.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.617 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.45 178.36 16.37 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -112.4 128.52 56.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.311 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.05 -170.17 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.62 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -149.02 -163.03 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.74 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.17 160.89 32.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.991 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -141.08 153.59 45.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.658 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.13 163.13 39.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' THR . . . . . 0.403 HG22 ' N ' ' C' ' 48' ' ' SER . 1.0 OUTLIER -123.36 -53.29 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.627 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 48' ' ' SER . . . . . 0.403 ' N ' HG22 ' C' ' 47' ' ' THR . 71.7 m -133.69 135.76 44.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.935 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 104.84 78.51 1.23 Allowed Glycine 0 C--O 1.222 -0.644 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.922 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' C' ' 49' ' ' GLY . 66.1 m-85 29.79 69.06 0.09 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.01 94.98 0.33 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.84 96.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.921 0.391 . . . . 0.0 110.064 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -160.93 147.68 15.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.315 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -120.78 135.24 55.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.743 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -128.89 131.26 47.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.359 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -103.0 -42.04 5.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.25 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -153.08 96.65 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.288 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.13 77.21 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.767 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.79 -165.02 50.97 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -142.52 -35.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.596 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -131.96 148.56 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.513 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 56.61 56.4 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.459 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -101.46 129.02 47.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.497 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 51.2 m -132.44 136.93 47.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.26 -160.37 1.7 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.99 -55.82 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.637 0.256 . . . . 0.0 110.935 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.01 -92.32 0.98 Allowed Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.45 130.93 57.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.888 0.375 . . . . 0.0 110.468 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.83 4.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.555 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 70' ' ' SER . . . . . 0.446 ' O ' HG23 ' D' ' 71' ' ' THR . 23.9 p -109.88 141.62 42.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.577 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.447 ' C ' ' OG1' ' D' ' 71' ' ' THR . 50.2 p -93.16 163.05 26.59 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.376 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -89.14 106.62 0.42 Allowed 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 123.187 2.591 . . . . 0.0 114.003 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -57.27 158.97 4.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.76 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.63 -97.45 1.45 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 75' ' ' TYR . . . . . 0.469 ' CE2' HG23 ' C' ' 78' ' ' THR . 0.1 OUTLIER -123.32 41.12 3.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 110.626 -179.795 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.65 136.27 50.9 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.69 89.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.93 0.395 . . . . 0.0 110.191 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.469 HG23 ' CE2' ' C' ' 75' ' ' TYR . 66.9 m -101.23 104.58 15.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.44 -144.12 11.78 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.9 71.83 0.51 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -53.71 134.49 41.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.72 -47.14 0.58 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.49 131.44 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.894 0.378 . . . . 0.0 110.824 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -134.77 91.84 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.576 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -54.43 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.587 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 71.8 p -163.25 -175.9 4.52 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.97 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.63 148.27 7.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.57 130.51 52.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.787 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.17 161.58 8.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 90' ' ' SER . . . . . 0.454 ' HG ' ' HD1' ' C' ' 91' ' ' TYR . 87.5 p -162.96 -174.7 4.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.654 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 91' ' ' TYR . . . . . 0.454 ' HD1' ' HG ' ' C' ' 90' ' ' SER . 67.3 m-85 57.8 72.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.185 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.81 52.21 0.58 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.31 171.22 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.662 0.268 . . . . 0.0 110.531 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.88 158.7 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.41 178.45 7.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.542 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 48.0 t -138.6 140.59 39.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.489 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.601 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -108.98 111.28 22.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.555 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 45.5 t -150.7 100.3 2.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.36 178.42 16.37 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -112.44 128.53 56.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.733 0.302 . . . . 0.0 110.506 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.14 -170.21 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.587 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.94 -163.07 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.642 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 82.5 p -71.23 160.97 31.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -141.15 153.56 45.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.701 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -150.14 163.19 38.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 47' ' ' THR . . . . . 0.412 HG22 ' N ' ' D' ' 48' ' ' SER . 1.0 OUTLIER -123.41 -53.46 1.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.527 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 48' ' ' SER . . . . . 0.412 ' N ' HG22 ' D' ' 47' ' ' THR . 71.0 m -133.45 135.76 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.055 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 104.81 78.59 1.24 Allowed Glycine 0 C--O 1.221 -0.676 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.918 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 50' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' E' ' 49' ' ' GLY . 65.7 m-85 29.83 68.99 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.16 95.08 0.34 Allowed Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 66.87 96.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.828 0.347 . . . . 0.0 110.101 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 33.4 t -160.88 147.69 15.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.303 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 39.7 t -120.72 135.27 55.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.778 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.87 131.24 47.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.374 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.99 -42.01 5.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.325 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.07 96.66 2.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.339 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.13 77.1 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.722 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.82 -164.95 51.1 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.53 -35.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.613 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 43.6 t -131.86 148.48 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.633 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.73 56.3 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.383 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.45 128.96 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.511 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 49.6 m -132.64 136.77 46.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.02 -160.37 1.58 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.08 -55.47 8.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.665 0.269 . . . . 0.0 110.981 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.73 -92.26 0.99 Allowed Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -115.43 130.7 56.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.771 0.32 . . . . 0.0 110.58 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.75 129.9 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 70' ' ' SER . . . . . 0.445 ' O ' HG23 ' E' ' 71' ' ' THR . 24.0 p -109.95 141.64 42.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.517 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 71' ' ' THR . . . . . 0.447 ' C ' ' OG1' ' E' ' 71' ' ' THR . 50.1 p -93.11 163.01 26.82 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 72' ' ' PRO . . . . . 0.4 ' HB3' ' C ' ' E' ' 72' ' ' PRO . 58.2 Cg_endo -89.1 106.68 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 123.211 2.607 . . . . 0.0 114.04 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.31 158.99 4.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.65 -97.47 1.45 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 75' ' ' TYR . . . . . 0.468 ' CE2' HG23 ' D' ' 78' ' ' THR . 0.1 OUTLIER -123.28 41.04 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.714 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.62 136.36 50.81 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.77 89.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 0.0 110.109 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 78' ' ' THR . . . . . 0.468 HG23 ' CE2' ' D' ' 75' ' ' TYR . 63.9 m -100.9 104.41 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.43 -144.34 11.93 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.98 71.89 0.51 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -53.78 134.52 42.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.67 -47.07 0.58 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.45 131.44 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 72.8 m -134.75 91.88 2.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.623 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -54.51 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.603 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 69.6 p -163.21 -176.06 4.62 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.992 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.59 148.17 7.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.608 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.52 130.5 52.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.772 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.18 161.55 8.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.04 0.447 . . . . 0.0 111.078 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 90' ' ' SER . . . . . 0.452 ' HG ' ' HD1' ' D' ' 91' ' ' TYR . 88.0 p -162.94 -174.5 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.655 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 91' ' ' TYR . . . . . 0.452 ' HD1' ' HG ' ' D' ' 90' ' ' SER . 67.0 m-85 57.47 72.75 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.16 52.31 0.57 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.42 171.2 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.502 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.79 158.76 9.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.84 0.353 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.4 178.43 7.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.5 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.54 140.57 39.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.629 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -108.98 111.06 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.505 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 45.8 t -150.46 99.93 2.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.18 178.48 16.36 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -112.53 128.56 56.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.472 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.16 -170.29 2.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.87 -163.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.715 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 82.3 p -71.24 160.61 32.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -141.03 153.66 45.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.634 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -149.94 163.09 39.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.625 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 47' ' ' THR . . . . . 0.444 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -124.2 -50.55 1.79 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 119.311 -0.956 . . . . 0.0 112.643 178.032 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 48' ' ' SER . . . . . 0.444 ' N ' HG22 ' E' ' 47' ' ' THR . 66.8 m -131.06 134.05 46.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 119.257 -0.401 . . . . 0.0 112.025 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 49' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 107.93 72.14 0.76 Allowed Glycine 0 C--O 1.216 -1.019 0 C-N-CA 117.921 -2.085 . . . . 0.0 113.209 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 50' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' E' ' 49' ' ' GLY . 70.5 m-85 29.0 74.77 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.406 0.622 . . . . 0.0 110.64 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.35 92.79 0.42 Allowed Glycine 0 C--N 1.323 -0.145 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 67.88 96.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.04 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 33.4 t -160.83 147.81 15.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.66 135.47 55.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.606 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -128.92 131.41 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.531 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 3.2 m -103.0 -42.08 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.392 . . . . 0.0 110.223 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 46.5 t -153.14 96.74 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.255 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -90.22 77.11 6.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.762 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.79 -165.1 50.89 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.39 -35.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.598 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 43.3 t -131.9 148.55 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.31 56.88 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.426 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.81 129.2 47.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 49.9 m -132.58 136.77 46.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.43 -161.97 1.64 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -56.36 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.62 0.247 . . . . 0.0 110.967 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.35 -92.25 0.96 Allowed Glycine 0 N--CA 1.464 0.565 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -115.48 130.63 56.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.786 0.327 . . . . 0.0 110.476 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.64 130.44 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.439 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 70' ' ' SER . . . . . 0.419 ' O ' HG23 ' F' ' 71' ' ' THR . 22.2 p -110.27 141.85 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.034 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 71' ' ' THR . . . . . 0.447 ' OG1' ' C ' ' D' ' 71' ' ' THR . 56.2 p -92.54 163.14 27.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 O-C-N 125.529 1.768 . . . . 0.0 110.874 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 72' ' ' PRO . . . . . 0.4 ' C ' ' HB3' ' D' ' 72' ' ' PRO . 62.4 Cg_endo -89.73 108.53 0.41 Allowed 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.516 2.144 . . . . 0.0 113.669 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -58.17 158.8 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.712 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.23 -96.02 1.3 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 75' ' ' TYR . . . . . 0.474 ' CE2' HG23 ' E' ' 78' ' ' THR . 0.1 OUTLIER -123.77 41.31 3.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.807 179.62 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.86 136.41 50.85 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.39 90.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.948 0.404 . . . . 0.0 110.267 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 78' ' ' THR . . . . . 0.474 HG23 ' CE2' ' E' ' 75' ' ' TYR . 70.1 m -101.7 104.75 15.58 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.425 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.53 -144.23 11.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.36 72.82 0.37 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -54.56 134.42 46.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.966 0.412 . . . . 0.0 110.779 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.75 -44.54 0.65 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 169.76 131.63 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.077 0.465 . . . . 0.0 110.643 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -134.81 91.61 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.535 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -54.65 -86.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.628 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 70.0 p -163.24 -176.47 4.82 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 121.803 0.811 . . . . 0.0 112.077 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.06 148.66 8.53 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.684 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.55 130.17 51.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.07 161.05 8.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.934 0.397 . . . . 0.0 111.263 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 90' ' ' SER . . . . . 0.441 ' HG ' ' HD1' ' E' ' 91' ' ' TYR . 87.1 p -162.6 -174.45 3.99 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.8 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 91' ' ' TYR . . . . . 0.441 ' HD1' ' HG ' ' E' ' 90' ' ' SER . 68.4 m-85 57.47 72.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.472 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.2 52.86 0.56 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.71 170.95 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.606 0.241 . . . . 0.0 110.433 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.56 158.54 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 85.0 p -163.94 179.11 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.596 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.77 140.72 38.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.594 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -108.94 111.27 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 44.9 t -150.68 100.23 2.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.613 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.2 178.44 16.37 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -112.39 128.7 56.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.34 . . . . 0.0 110.47 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.28 -170.29 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.545 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.85 -163.01 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.745 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 82.5 p -71.29 161.02 31.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.946 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 13.7 t -141.27 153.49 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -150.07 163.1 39.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 47' ' ' THR . . . . . 0.419 HG22 ' N ' ' F' ' 48' ' ' SER . 1.0 OUTLIER -123.26 -53.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.576 -179.716 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 48' ' ' SER . . . . . 0.419 ' N ' HG22 ' F' ' 47' ' ' THR . 71.5 m -133.54 135.84 44.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.99 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 104.71 78.93 1.27 Allowed Glycine 0 C--O 1.221 -0.675 0 C-N-CA 120.323 -0.941 . . . . 0.0 111.926 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 50' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' F' ' 49' ' ' GLY . 64.6 m-85 29.43 69.13 0.08 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.16 94.96 0.33 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.91 96.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 110.055 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.94 147.77 15.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.253 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 39.6 t -120.8 135.11 55.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.795 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 55' ' ' TYR . . . . . 0.402 ' HH ' ' HD2' ' F' ' 50' ' ' TYR . 93.6 m-85 -128.79 131.22 47.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.425 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.94 -42.05 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.287 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.17 96.83 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.262 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.3 77.2 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.7 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.75 -165.04 50.87 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.45 -35.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.601 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.85 148.54 52.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.66 56.33 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -101.41 129.0 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 51.1 m -132.39 137.12 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.37 -160.26 1.73 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -55.92 7.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 0.0 110.966 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.14 -92.38 0.98 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.4 131.05 57.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.903 0.382 . . . . 0.0 110.366 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.99 129.8 4.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 70' ' ' SER . . . . . 0.448 ' O ' HG23 ' G' ' 71' ' ' THR . 24.0 p -109.9 141.56 42.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.515 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 71' ' ' THR . . . . . 0.447 ' OG1' ' C ' ' E' ' 71' ' ' THR . 50.0 p -93.18 163.08 26.43 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.403 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -89.2 106.6 0.42 Allowed 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 123.121 2.547 . . . . 0.0 113.999 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.23 159.05 4.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.759 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.48 -97.65 1.49 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 75' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' F' ' 78' ' ' THR . 0.1 OUTLIER -122.72 40.83 3.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.704 -179.867 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.61 136.28 50.88 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.65 89.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.191 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 78' ' ' THR . . . . . 0.467 HG23 ' CE2' ' F' ' 75' ' ' TYR . 68.8 m -101.11 104.47 15.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.32 -144.13 11.86 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 71.84 0.51 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.71 134.49 41.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.72 -47.03 0.58 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.33 131.37 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.853 0.359 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.75 91.91 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.602 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.53 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.582 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 70.9 p -163.25 -176.05 4.59 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.01 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -165.55 148.24 7.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.528 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.47 130.47 52.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.2 161.55 8.42 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 90' ' ' SER . . . . . 0.441 ' HG ' ' HD1' ' F' ' 91' ' ' TYR . 87.4 p -162.91 -174.63 3.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.702 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 91' ' ' TYR . . . . . 0.441 ' HD1' ' HG ' ' F' ' 90' ' ' SER . 67.3 m-85 57.91 71.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.334 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.58 52.31 0.58 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.38 171.13 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.64 0.257 . . . . 0.0 110.437 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.79 158.72 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 84.6 p -164.45 178.47 7.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.56 140.6 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.499 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.57 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -109.0 111.36 22.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.496 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -150.71 100.25 2.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.618 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.3 178.38 16.37 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -112.38 128.57 56.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.719 0.295 . . . . 0.0 110.477 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.15 -170.25 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.537 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.95 -163.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.727 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.27 160.95 31.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.009 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.09 153.52 45.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.613 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -150.12 163.17 38.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.578 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 47' ' ' THR . . . . . 0.422 HG22 ' N ' ' G' ' 48' ' ' SER . 1.0 OUTLIER -123.36 -53.46 1.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.615 -179.753 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 48' ' ' SER . . . . . 0.422 ' N ' HG22 ' G' ' 47' ' ' THR . 71.5 m -133.55 135.87 44.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.918 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 104.73 78.59 1.24 Allowed Glycine 0 C--O 1.221 -0.665 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.958 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' G' ' 49' ' ' GLY . 65.1 m-85 29.78 69.05 0.09 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.1 95.08 0.34 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 66.86 96.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.073 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.89 147.76 15.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.286 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -120.8 135.08 55.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.758 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.71 131.34 47.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.445 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -103.0 -42.05 5.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.303 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -153.15 96.81 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.265 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -90.17 77.17 6.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.69 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.73 -165.06 50.82 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.41 -35.55 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 110.587 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.88 148.5 52.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.589 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.7 56.33 5.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.404 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.4 128.96 47.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.599 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 50.6 m -132.45 136.91 47.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.15 -160.31 1.63 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.09 -55.78 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.974 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.06 -92.4 0.99 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.36 130.82 57.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.867 0.365 . . . . 0.0 110.407 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.86 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.633 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 70' ' ' SER . . . . . 0.446 ' O ' HG23 ' H' ' 71' ' ' THR . 23.8 p -109.85 141.64 42.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.552 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 71' ' ' THR . . . . . 0.448 HG23 ' O ' ' F' ' 70' ' ' SER . 51.1 p -93.16 163.08 26.44 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -89.12 106.46 0.42 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 123.192 2.594 . . . . 0.0 113.982 -176.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -57.09 159.02 4.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.56 -97.48 1.46 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 75' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' G' ' 78' ' ' THR . 0.1 OUTLIER -123.27 41.0 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.994 0.426 . . . . 0.0 110.698 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.63 136.32 50.85 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.74 89.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.974 0.416 . . . . 0.0 110.26 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 78' ' ' THR . . . . . 0.467 HG23 ' CE2' ' G' ' 75' ' ' TYR . 68.1 m -101.03 104.35 15.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.634 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.2 -144.19 11.96 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.92 71.76 0.52 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.62 134.51 41.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.904 0.383 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.7 -47.21 0.58 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.46 131.37 0.02 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 72.5 m -134.71 91.82 2.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.714 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.5 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 72.6 p -163.28 -175.96 4.54 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.92 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.64 148.17 7.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.567 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.48 130.6 52.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.24 161.57 8.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.931 0.396 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 90' ' ' SER . . . . . 0.443 ' HG ' ' HD1' ' G' ' 91' ' ' TYR . 87.3 p -162.94 -174.68 4.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.649 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 91' ' ' TYR . . . . . 0.443 ' HD1' ' HG ' ' G' ' 90' ' ' SER . 66.8 m-85 57.8 72.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.141 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.8 52.21 0.58 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.37 171.21 9.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.657 0.265 . . . . 0.0 110.477 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.83 158.73 9.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 111.054 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 84.5 p -164.44 178.49 7.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.498 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -138.59 140.62 39.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.446 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.61 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -108.92 111.34 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 45.3 t -150.67 100.31 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.633 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.35 178.53 16.36 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -112.49 128.47 56.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.06 -170.26 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.553 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.88 -163.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.749 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 82.1 p -71.25 160.94 31.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.057 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.13 153.52 45.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.05 163.18 38.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.564 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 47' ' ' THR . . . . . 0.424 HG22 ' N ' ' H' ' 48' ' ' SER . 1.0 OUTLIER -123.34 -53.49 1.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.586 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 48' ' ' SER . . . . . 0.424 ' N ' HG22 ' H' ' 47' ' ' THR . 71.2 m -133.44 135.76 44.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.971 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 104.87 78.62 1.24 Allowed Glycine 0 C--O 1.223 -0.571 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.933 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' H' ' 49' ' ' GLY . 65.7 m-85 29.79 68.91 0.09 Allowed 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.01 95.08 0.33 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.336 -1.105 . . . . 0.0 110.336 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 66.87 96.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 0.0 110.143 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 33.6 t -160.86 147.82 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.263 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -120.85 135.2 55.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.765 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.74 131.25 47.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.486 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 3.2 m -102.92 -42.02 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -153.24 96.75 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.282 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.19 77.06 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.729 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.76 -165.1 50.83 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.42 -35.51 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 110.562 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -131.94 148.49 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.537 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.71 56.25 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.474 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.39 128.93 47.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.628 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 50.3 m -132.4 137.03 47.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.25 -160.26 1.67 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.12 -55.76 7.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.655 0.264 . . . . 0.0 111.0 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.02 -92.41 0.99 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -115.37 130.95 57.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.804 0.335 . . . . 0.0 110.415 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.87 4.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.569 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 70' ' ' SER . . . . . 0.434 ' O ' HG23 ' I' ' 71' ' ' THR . 24.1 p -110.02 141.51 42.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.486 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 71' ' ' THR . . . . . 0.446 HG23 ' O ' ' G' ' 70' ' ' SER . 49.8 p -93.12 163.08 26.53 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -88.98 106.45 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 123.205 2.603 . . . . 0.0 114.073 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.12 159.07 4.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.792 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.6 -97.57 1.47 Allowed Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 75' ' ' TYR . . . . . 0.469 ' CE2' HG23 ' H' ' 78' ' ' THR . 0.1 OUTLIER -122.96 40.71 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.733 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.43 136.27 50.82 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.82 89.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.912 0.387 . . . . 0.0 110.107 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 78' ' ' THR . . . . . 0.469 HG23 ' CE2' ' H' ' 75' ' ' TYR . 68.1 m -101.01 104.45 15.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.604 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.29 -144.16 11.89 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.96 71.96 0.5 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.86 134.5 42.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.964 0.411 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.77 -47.14 0.58 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 172.44 131.46 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.74 91.89 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.587 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -54.56 -87.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.559 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 72.8 p -163.22 -175.9 4.53 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.907 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.71 148.18 7.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.39 130.53 52.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.31 161.56 8.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.9 0.381 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 90' ' ' SER . . . . . 0.443 ' HG ' ' HD1' ' H' ' 91' ' ' TYR . 87.4 p -162.9 -174.66 4.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.712 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 91' ' ' TYR . . . . . 0.443 ' HD1' ' HG ' ' H' ' 90' ' ' SER . 67.2 m-85 57.77 72.21 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.182 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.85 52.08 0.58 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.27 171.24 9.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.681 0.277 . . . . 0.0 110.479 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.8 158.81 9.23 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.019 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.51 178.43 7.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 47.8 t -138.55 140.66 39.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.456 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.569 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -108.87 111.31 22.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.631 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 45.2 t -150.67 100.44 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.595 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.44 178.47 16.36 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -112.43 128.68 56.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.682 0.277 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.17 -170.27 2.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.554 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.82 -163.09 1.7 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.712 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.17 161.11 31.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -141.41 153.28 44.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.696 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -150.27 162.27 40.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.596 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 47' ' ' THR . . . . . 0.427 HG22 ' N ' ' I' ' 48' ' ' SER . 1.0 OUTLIER -122.76 -54.03 1.86 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.536 -179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 48' ' ' SER . . . . . 0.427 ' N ' HG22 ' I' ' 47' ' ' THR . 72.2 m -132.84 135.89 45.91 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.033 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 104.99 78.55 1.23 Allowed Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.851 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' I' ' 49' ' ' GLY . 64.8 m-85 29.77 70.31 0.07 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.12 95.15 0.41 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 66.81 95.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.39 . . . . 0.0 110.137 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.15 148.0 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.357 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.83 135.14 55.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.763 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -128.78 131.27 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.478 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 3.3 m -102.98 -42.02 5.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -153.24 96.83 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.276 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.22 77.15 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.659 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.63 -165.08 50.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.36 -35.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.637 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.84 148.51 52.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 56.59 56.38 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.505 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.46 129.0 47.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.565 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 49.5 m -132.39 137.07 47.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.44 -160.15 1.74 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.26 -55.66 8.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.516 0.198 . . . . 0.0 110.942 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.04 -92.46 0.99 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 30.8 p -115.21 131.14 57.02 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.402 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -162.01 129.94 4.07 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.446 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 26.1 p -110.21 140.97 43.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.449 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 71' ' ' THR . . . . . 0.434 HG23 ' O ' ' H' ' 70' ' ' SER . 46.6 p -91.82 164.77 22.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -89.98 107.02 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 123.158 2.572 . . . . 0.0 113.989 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -57.6 158.85 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.827 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.26 -97.35 1.39 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 75' ' ' TYR . . . . . 0.473 ' CE2' HG23 ' I' ' 78' ' ' THR . 0.1 OUTLIER -122.66 39.29 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.72 0.295 . . . . 0.0 110.745 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.15 136.51 48.36 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.66 89.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 110.167 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 78' ' ' THR . . . . . 0.473 HG23 ' CE2' ' I' ' 75' ' ' TYR . 67.3 m -100.84 104.35 15.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.739 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.24 -143.91 11.77 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.89 72.01 0.49 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -53.9 134.95 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.043 0.449 . . . . 0.0 110.739 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.59 -46.91 0.59 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.37 131.46 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.77 91.99 2.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.544 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -54.33 -86.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.645 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 76.1 p -163.46 -175.97 4.48 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.213 -0.595 . . . . 0.0 111.532 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.69 148.44 7.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.58 130.69 52.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.733 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.39 161.46 8.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.923 0.392 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 90' ' ' SER . . . . . 0.452 ' HG ' ' HD1' ' I' ' 91' ' ' TYR . 87.4 p -162.9 -174.65 4.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.567 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 91' ' ' TYR . . . . . 0.452 ' HD1' ' HG ' ' I' ' 90' ' ' SER . 69.2 m-85 57.49 71.85 0.55 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.332 0.587 . . . . 0.0 111.455 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.77 51.71 0.59 Allowed Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.36 171.25 9.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.627 0.251 . . . . 0.0 110.412 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.75 158.84 9.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.05 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 85.0 p -164.45 178.41 7.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.483 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 47.5 t -138.62 140.65 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.425 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.551 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.85 84.88 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.1 p -162.32 145.48 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.559 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.73 121.18 21.42 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -138.48 158.67 43.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.574 0.226 . . . . 0.0 110.411 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.9 p -159.65 158.43 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.543 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -158.64 156.73 30.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.714 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.9 m -129.33 146.0 51.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -122.47 126.59 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.638 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -140.65 142.86 34.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.093 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.22 -51.38 1.76 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.544 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.6 t -136.42 140.95 43.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.148 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.87 74.55 1.22 Allowed Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.519 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 37.02 70.42 0.17 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.29 95.12 0.5 Allowed Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 67.48 88.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.42 147.53 15.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.649 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.36 146.07 51.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.415 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.81 40.5 20.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.46 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.28 -37.53 77.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.631 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -132.04 144.76 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.31 54.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.28 149.3 42.12 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -109.57 17.01 21.8 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.054 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -61.13 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.746 0.308 . . . . 0.0 110.577 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.84 126.91 53.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -133.39 105.19 6.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.4 m -114.08 130.73 56.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.636 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.04 -161.22 0.9 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.34 -58.77 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.834 0.35 . . . . 0.0 110.826 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.4 -99.57 1.25 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.64 121.38 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.026 0.441 . . . . 0.0 110.772 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.48 133.99 1.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.791 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.0 t -105.68 124.94 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.546 HG22 ' HD2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -77.62 170.08 17.98 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.065 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.546 ' HD2' HG22 ' A' ' 71' ' ' THR . 53.2 Cg_exo -54.22 105.58 0.14 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.253 1.969 . . . . 0.0 112.533 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -63.59 111.84 2.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.05 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.46 121.05 0.34 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.1 t80 58.64 83.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.143 0.497 . . . . 0.0 111.092 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.99 -89.96 0.08 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -141.53 161.09 38.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 111.196 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.19 104.88 3.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.34 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.61 84.83 0.38 Allowed Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.28 -128.5 2.39 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -89.72 51.6 2.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.77 0.319 . . . . 0.0 110.732 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.99 -132.25 48.96 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m 41.02 51.05 3.25 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.153 0.502 . . . . 0.0 110.445 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 p -111.65 83.39 1.77 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.841 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.11 124.06 26.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.675 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.65 -175.01 4.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.942 0.401 . . . . 0.0 111.027 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -154.19 140.42 18.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.314 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.27 -173.48 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.929 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.3 p -151.33 161.28 42.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.33 113.93 15.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.678 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -129.16 100.43 5.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.049 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.79 53.25 0.56 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.682 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.65 114.47 26.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.612 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.92 133.59 22.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.81 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -125.06 127.3 46.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.481 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.19 -165.73 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.688 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.491 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.91 84.87 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.574 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -162.51 145.07 11.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.643 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.28 121.14 21.99 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -138.41 158.76 43.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.709 0.29 . . . . 0.0 110.457 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 97.1 p -159.77 158.51 31.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.666 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -158.74 156.76 30.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.29 145.96 51.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.513 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -122.59 126.28 47.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.695 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.27 142.5 35.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.253 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.39 -51.4 1.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.423 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -136.17 141.48 44.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.14 76.35 1.32 Allowed Glycine 0 C--O 1.223 -0.544 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.181 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.24 70.99 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.79 95.17 0.54 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 67.6 88.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.45 147.48 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.71 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.35 146.06 51.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 49.73 40.54 20.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.522 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.32 -37.46 77.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.608 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.0 m -132.09 144.85 51.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.48 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -146.41 54.31 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.25 149.21 42.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -109.59 17.18 21.61 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.798 0.332 . . . . 0.0 110.574 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.8 126.95 53.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.38 105.15 6.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -113.95 130.9 56.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.13 -161.1 0.9 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.57 -58.72 3.54 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.756 0.312 . . . . 0.0 110.819 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.55 -99.75 1.26 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.4 121.41 44.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.775 0.321 . . . . 0.0 110.765 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.54 133.15 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.826 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.77 124.98 50.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.711 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.553 HG22 ' HD2' ' B' ' 72' ' ' PRO . 0.1 OUTLIER -77.64 169.9 18.82 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.044 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.553 ' HD2' HG22 ' B' ' 71' ' ' THR . 52.3 Cg_exo -54.23 103.67 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.432 2.088 . . . . 0.0 112.809 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.48 112.24 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.296 0.373 . . . . 0.0 110.455 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.4 121.06 0.33 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.84 83.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.411 . . . . 0.0 110.969 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.97 -89.89 0.08 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 55.2 m -141.28 161.32 38.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 111.19 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.26 104.16 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.524 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.06 85.01 0.38 Allowed Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.46 -128.52 2.38 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -89.86 52.31 2.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.921 0.391 . . . . 0.0 110.644 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.35 -132.22 50.08 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.87 51.24 3.15 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.303 0.573 . . . . 0.0 110.555 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.58 83.42 1.78 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.751 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.19 123.36 25.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.773 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.9 -175.0 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -154.09 140.44 18.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.375 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.23 -173.44 0.92 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.057 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 94.9 p -151.4 161.29 42.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.751 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.96 15.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.694 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -129.5 100.64 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.04 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.62 53.61 0.55 Allowed Glycine 0 CA--C 1.526 0.75 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.681 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.76 114.43 26.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.56 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.94 133.57 22.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 70.2 m -124.99 127.3 46.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.543 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.19 -165.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.711 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 58.8 t80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.447 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.81 84.8 3.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.664 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 79.1 p -162.49 144.94 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.713 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.2 121.2 22.28 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -138.5 158.76 43.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.408 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 97.8 p -159.75 158.47 31.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.692 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -158.74 156.73 30.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.656 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.21 145.94 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -122.55 126.21 47.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.727 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.23 142.37 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.288 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.26 -51.35 1.76 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.542 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -136.27 141.48 43.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 111.123 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.06 76.53 1.33 Allowed Glycine 0 C--O 1.224 -0.515 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.262 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 34.98 71.09 0.12 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.86 95.15 0.54 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 67.64 88.42 0.11 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.849 0.357 . . . . 0.0 110.045 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.44 147.37 15.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.707 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.26 146.18 51.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.472 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.7 40.42 19.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 89.4 p -59.13 -37.57 77.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.628 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.9 m -132.04 144.88 51.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.453 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -146.34 54.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.655 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.17 149.23 42.19 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.48 17.08 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.59 -61.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.502 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.73 126.97 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.539 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.46 105.16 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 94.6 m -113.96 130.81 56.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.02 -161.17 0.89 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.51 -58.8 3.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.694 0.283 . . . . 0.0 110.73 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.58 -99.7 1.26 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.43 121.42 44.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.778 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -168.58 133.12 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.857 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.7 125.04 50.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.729 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.555 HG22 ' HD2' ' C' ' 72' ' ' PRO . 0.1 OUTLIER -77.69 169.92 18.75 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.056 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 72' ' ' PRO . . . . . 0.555 ' HD2' HG22 ' C' ' 71' ' ' THR . 52.1 Cg_exo -54.24 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.476 2.118 . . . . 0.0 112.78 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.31 112.16 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.818 0.342 . . . . 0.0 110.497 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.52 121.05 0.34 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.72 83.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.012 0.434 . . . . 0.0 110.897 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.02 -89.8 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 54.3 m -141.3 161.37 38.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.161 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.31 104.18 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.55 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.04 85.0 0.38 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.5 -128.5 2.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -89.86 52.44 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.397 . . . . 0.0 110.647 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.38 -132.35 50.07 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.88 51.3 3.17 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.268 0.556 . . . . 0.0 110.556 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.65 83.52 1.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.747 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.28 123.27 25.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.81 -174.87 4.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 110.991 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -154.17 140.38 18.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.45 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.809 -0.357 . . . . 0.0 111.09 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -151.35 161.28 42.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.702 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.88 15.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.667 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -129.43 100.81 5.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.092 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.47 53.64 0.56 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.628 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.73 114.47 26.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.78 0.324 . . . . 0.0 110.547 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.98 133.59 22.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.806 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 70.7 m -125.08 127.39 46.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.454 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.0 -165.7 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.721 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.53 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.78 84.83 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.63 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 79.3 p -162.5 144.85 10.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.747 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.08 121.1 22.19 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -138.49 158.75 43.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.672 0.272 . . . . 0.0 110.562 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 96.2 p -159.73 158.43 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.728 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.68 156.75 30.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.756 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -129.36 146.05 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.0 m -122.67 126.12 46.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.811 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.18 142.51 35.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.204 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.4 -51.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.34 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -135.97 141.61 44.45 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.278 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.95 76.52 1.33 Allowed Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.327 -0.94 . . . . 0.0 112.237 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.03 71.09 0.12 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.83 95.14 0.54 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 67.57 88.42 0.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.827 0.346 . . . . 0.0 110.128 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 47.2 t -160.45 147.4 15.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.715 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 89.5 p -132.31 146.06 51.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.78 40.47 20.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.559 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.31 -37.38 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.656 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.4 m -132.11 144.71 50.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.524 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.25 54.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.16 149.23 42.21 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.55 17.06 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.54 -61.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.815 0.34 . . . . 0.0 110.539 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.78 126.91 53.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.4 105.18 6.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -113.98 130.78 56.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.12 -161.16 0.91 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -58.77 3.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.668 0.271 . . . . 0.0 110.704 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.46 -99.69 1.26 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.4 121.41 44.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.779 0.324 . . . . 0.0 110.784 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.54 133.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.864 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.72 125.08 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.751 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 71' ' ' THR . . . . . 0.555 HG22 ' HD2' ' D' ' 72' ' ' PRO . 0.1 OUTLIER -77.81 169.9 18.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.075 179.821 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 72' ' ' PRO . . . . . 0.555 ' HD2' HG22 ' D' ' 71' ' ' THR . 52.4 Cg_exo -54.17 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.487 2.125 . . . . 0.0 112.817 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.29 112.28 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.306 0.379 . . . . 0.0 110.474 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.36 121.02 0.33 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.78 83.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.99 0.424 . . . . 0.0 110.974 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.02 -89.83 0.08 OUTLIER Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -141.34 161.42 37.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.899 0.38 . . . . 0.0 111.152 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.34 104.26 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.8 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.18 85.15 0.39 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.58 -128.51 2.36 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.99 52.58 2.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.928 0.394 . . . . 0.0 110.64 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.24 -132.25 50.28 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.84 51.3 3.14 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.292 0.568 . . . . 0.0 110.545 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.62 83.45 1.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.721 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.21 123.32 25.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.774 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.84 -175.03 4.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 111.027 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -153.95 140.4 18.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.377 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.47 0.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.019 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 94.8 p -151.33 161.29 42.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.745 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.82 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.687 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -129.55 100.79 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.049 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.52 53.69 0.56 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.635 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.71 114.43 26.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.74 0.305 . . . . 0.0 110.528 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.97 133.56 22.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.745 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -125.04 127.41 46.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.08 -165.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.448 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -95.42 84.99 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.066 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 79.2 p -162.84 144.43 10.12 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.718 0.294 . . . . 0.0 110.519 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.85 120.9 21.88 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -138.39 158.67 43.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.741 0.305 . . . . 0.0 110.445 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 96.8 p -159.66 158.45 31.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.685 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.69 156.68 30.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.68 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 75.3 m -129.2 145.96 51.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.561 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -122.56 126.35 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.694 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -139.92 142.62 36.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.18 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 47' ' ' THR . . . . . 0.423 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -125.02 -49.58 1.71 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 119.173 -1.011 . . . . 0.0 112.511 177.777 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 48' ' ' SER . . . . . 0.423 ' N ' HG22 ' E' ' 47' ' ' THR . 23.2 t -131.58 139.76 49.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.02 71.71 1.04 Allowed Glycine 0 C--O 1.217 -0.927 0 C-N-CA 118.084 -2.007 . . . . 0.0 112.885 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 33.45 76.01 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.455 0.645 . . . . 0.0 111.03 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.39 92.95 0.6 Allowed Glycine 0 CA--C 1.518 0.222 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 68.38 88.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.946 0.403 . . . . 0.0 110.004 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.48 147.42 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.729 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.26 146.19 51.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.42 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 49.77 40.5 20.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.447 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.32 -37.49 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.603 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -132.02 144.78 51.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.571 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -146.28 54.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.12 149.24 42.3 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.57 17.1 21.71 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.58 -61.18 0.09 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.763 0.316 . . . . 0.0 110.586 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.85 126.61 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.1 104.82 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.744 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -113.83 130.75 56.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.61 -162.15 0.9 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -59.06 3.05 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.664 0.269 . . . . 0.0 110.74 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.64 -99.26 1.2 Allowed Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.66 121.08 43.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.749 0.309 . . . . 0.0 110.684 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -168.21 134.41 1.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.319 0.581 . . . . 0.0 110.686 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -106.15 126.75 52.6 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.125 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 71' ' ' THR . . . . . 0.553 HG22 ' HD2' ' E' ' 72' ' ' PRO . 0.1 OUTLIER -79.08 169.73 19.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 O-C-N 124.604 1.19 . . . . 0.0 109.778 -179.577 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 72' ' ' PRO . . . . . 0.553 ' HD2' HG22 ' E' ' 71' ' ' THR . 50.8 Cg_exo -55.57 107.9 0.28 Allowed 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.222 1.281 . . . . 0.0 111.778 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -64.19 114.09 3.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.912 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.85 119.95 0.26 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 4.0 t80 60.53 81.69 0.18 Allowed 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.328 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.4 -89.47 0.08 OUTLIER Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 56.5 m -141.45 161.28 38.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.079 0.466 . . . . 0.0 111.0 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.71 104.07 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.131 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.25 84.91 0.38 Allowed Glycine 0 CA--C 1.547 2.062 0 C-N-CA 120.379 -0.915 . . . . 0.0 111.726 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.53 -128.32 2.35 Favored Glycine 0 C--N 1.355 1.608 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -89.96 51.93 2.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.93 0.395 . . . . 0.0 111.27 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.3 -131.69 49.9 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 39.98 52.26 2.63 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 123.68 0.282 . . . . 0.0 110.464 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 3.7 p -112.42 83.14 1.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.117 0.885 . . . . 0.0 110.26 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.19 122.77 24.48 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-O 121.455 0.645 . . . . 0.0 110.811 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.1 -176.34 5.18 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.933 -0.48 . . . . 0.0 110.887 -178.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -153.36 140.37 19.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.32 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.37 0.91 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.003 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -150.89 161.77 42.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.61 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -129.2 113.65 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.867 0.73 . . . . 0.0 111.224 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -128.63 99.85 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.367 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.02 53.01 0.55 Allowed Glycine 0 CA--C 1.525 0.718 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.726 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.31 114.15 25.8 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.805 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.83 133.76 22.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.85 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -124.93 127.28 46.81 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.316 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.3 -165.73 0.17 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.049 0.843 . . . . 0.0 110.563 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.459 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.97 84.84 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.591 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -162.49 144.89 10.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.618 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.15 121.18 22.3 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.474 -0.651 . . . . 0.0 111.474 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -138.42 158.69 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.696 0.284 . . . . 0.0 110.513 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 97.7 p -159.74 158.45 31.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.691 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.63 156.75 30.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.682 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.34 146.01 51.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -122.56 126.29 47.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.629 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -140.24 142.32 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.297 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.27 -51.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.439 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 26.8 t -136.02 141.6 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 111.189 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.88 76.85 1.34 Allowed Glycine 0 C--O 1.222 -0.599 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.123 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 34.66 71.25 0.11 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.87 95.11 0.54 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 67.61 88.31 0.11 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.848 0.356 . . . . 0.0 110.085 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.33 147.43 15.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.706 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.29 146.13 51.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 49.76 40.49 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.497 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.26 -37.51 77.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.638 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -132.01 144.76 51.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.521 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.3 54.25 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.614 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.05 149.19 42.34 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.48 17.0 21.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.575 0.226 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.737 0.303 . . . . 0.0 110.606 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -116.73 126.84 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.542 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.35 105.15 6.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -113.97 130.94 56.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.19 -161.12 0.93 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -58.83 3.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.735 0.303 . . . . 0.0 110.751 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.54 -99.72 1.26 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.38 121.56 45.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.705 0.288 . . . . 0.0 110.761 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.65 133.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.822 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.73 125.08 50.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.704 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 71' ' ' THR . . . . . 0.556 HG22 ' HD2' ' F' ' 72' ' ' PRO . 0.1 OUTLIER -77.78 169.93 18.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.036 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 72' ' ' PRO . . . . . 0.556 ' HD2' HG22 ' F' ' 71' ' ' THR . 51.9 Cg_exo -54.17 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.51 2.14 . . . . 0.0 112.814 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.2 112.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.246 0.341 . . . . 0.0 110.526 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.46 121.3 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.85 83.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.89 0.08 OUTLIER Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 55.4 m -141.27 161.34 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 111.119 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.3 104.19 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.48 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.07 85.07 0.39 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.5 -128.58 2.38 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.87 52.44 2.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.923 0.392 . . . . 0.0 110.611 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 -132.27 50.13 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.86 51.32 3.15 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 121.239 0.542 . . . . 0.0 110.57 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 3.8 p -111.75 83.54 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.606 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.25 123.26 25.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.759 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.82 -174.94 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 111.094 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.8 t -154.03 140.31 18.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.345 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.17 -173.44 0.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 94.7 p -151.33 161.33 42.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.763 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.82 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.673 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.45 100.78 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.041 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.48 53.75 0.56 Allowed Glycine 0 CA--C 1.526 0.762 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.614 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.7 114.39 26.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.729 0.299 . . . . 0.0 110.564 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.98 133.53 22.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.795 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 70.4 m -124.98 127.42 47.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.04 -165.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.658 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.473 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.91 84.82 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.598 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -162.5 144.9 10.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.643 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.21 121.2 22.27 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -138.5 158.7 43.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.725 0.298 . . . . 0.0 110.435 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 96.5 p -159.74 158.47 31.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.709 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.68 156.78 30.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.718 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.28 145.98 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.525 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -122.53 126.21 47.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.686 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -140.26 142.46 35.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.22 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.41 -51.29 1.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.471 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 26.5 t -136.22 141.52 43.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.99 76.51 1.33 Allowed Glycine 0 C--O 1.222 -0.612 0 C-N-CA 120.329 -0.939 . . . . 0.0 112.172 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 35.16 71.07 0.12 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.89 95.16 0.54 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 67.58 88.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 47.1 t -160.41 147.42 15.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.702 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.29 146.15 51.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.78 40.45 20.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.25 -37.49 77.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -132.02 144.78 51.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.564 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.32 54.22 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.519 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.15 149.2 42.2 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -109.49 17.03 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.18 0.09 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.791 0.329 . . . . 0.0 110.573 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.72 126.91 53.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.569 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.39 105.17 6.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -113.97 130.92 56.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.23 -161.05 0.92 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.55 -58.8 3.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.62 0.248 . . . . 0.0 110.784 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.54 -99.69 1.26 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.45 121.43 44.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.726 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.59 133.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.828 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -104.79 125.09 50.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 71' ' ' THR . . . . . 0.559 HG22 ' HD2' ' G' ' 72' ' ' PRO . 0.1 OUTLIER -77.71 169.9 18.84 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.047 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 72' ' ' PRO . . . . . 0.559 ' HD2' HG22 ' G' ' 71' ' ' THR . 52.0 Cg_exo -54.15 103.39 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.547 2.165 . . . . 0.0 112.776 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.24 112.24 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.831 0.348 . . . . 0.0 110.547 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.56 121.0 0.35 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.73 83.72 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.391 . . . . 0.0 110.953 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.85 0.08 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 55.7 m -141.32 161.41 37.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.922 0.392 . . . . 0.0 111.093 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.32 104.09 3.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.508 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.08 85.17 0.39 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.54 -128.48 2.36 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.94 52.47 2.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 110.643 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 -132.27 50.13 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.81 51.37 3.12 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.282 0.563 . . . . 0.0 110.538 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 4.0 p -111.67 83.51 1.79 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.722 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.25 123.22 25.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.723 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.81 -174.94 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.07 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.2 t -154.06 140.32 18.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.324 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.1 -173.37 0.93 Allowed 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.043 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 95.4 p -151.37 161.32 42.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.7 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.25 113.93 15.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.67 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -129.49 100.79 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.45 53.67 0.56 Allowed Glycine 0 CA--C 1.526 0.777 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.677 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.71 114.43 26.41 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.597 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.97 133.56 22.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.747 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 70.5 m -125.02 127.41 46.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.461 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 5.5 t 58.13 -165.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 58.9 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.459 179.876 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.9 84.8 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.549 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 79.1 p -162.48 144.98 11.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.61 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.19 121.34 22.64 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -138.61 158.75 43.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.7 0.286 . . . . 0.0 110.461 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 95.6 p -159.78 158.47 31.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.684 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.72 156.74 30.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.695 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -129.26 145.98 51.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -122.58 126.17 47.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.721 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -140.19 142.41 35.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.294 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.29 -51.4 1.76 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.483 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -136.24 141.45 43.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.231 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.2 76.46 1.32 Allowed Glycine 0 C--O 1.224 -0.513 0 C-N-CA 120.276 -0.964 . . . . 0.0 112.232 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.04 71.05 0.12 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.77 95.17 0.54 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 67.54 88.37 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.851 0.358 . . . . 0.0 110.096 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.37 147.37 15.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.693 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 89.7 p -132.29 146.15 51.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.444 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 49.75 40.54 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.489 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.41 -37.38 77.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.591 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -132.07 144.76 50.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.521 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.32 54.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.18 149.25 42.2 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.56 17.06 21.75 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.53 -61.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 0.0 110.575 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.88 126.85 53.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.37 105.25 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -114.07 130.9 56.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.15 -160.99 0.89 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.63 -58.77 3.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.659 0.266 . . . . 0.0 110.779 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.55 -99.72 1.26 Allowed Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.532 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.44 121.43 44.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.686 0.279 . . . . 0.0 110.818 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -168.56 133.26 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.76 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -104.84 125.14 50.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.693 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 71' ' ' THR . . . . . 0.559 HG22 ' HD2' ' H' ' 72' ' ' PRO . 0.1 OUTLIER -77.74 169.84 19.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.066 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 72' ' ' PRO . . . . . 0.559 ' HD2' HG22 ' H' ' 71' ' ' THR . 52.3 Cg_exo -54.21 103.41 0.09 OUTLIER 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.518 2.145 . . . . 0.0 112.754 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.32 112.25 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.909 0.385 . . . . 0.0 110.497 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.59 121.16 0.35 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.75 83.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.83 0.08 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 56.8 m -141.29 161.39 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 111.087 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.29 104.03 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.47 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.94 85.16 0.39 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.52 -128.55 2.37 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -90.04 52.66 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.57 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.19 -132.31 50.39 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.91 51.34 3.18 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.27 0.557 . . . . 0.0 110.545 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.71 83.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.709 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.24 123.26 25.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.72 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.85 -175.04 4.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 111.067 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -153.91 140.41 18.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.407 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.52 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.065 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -151.27 161.27 43.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.796 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.11 113.88 15.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.684 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.54 100.7 5.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.099 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.57 53.71 0.55 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.672 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.66 114.26 26.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.698 0.285 . . . . 0.0 110.617 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.9 133.66 22.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.768 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 70.6 m -125.13 127.39 46.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.432 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.11 -165.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.688 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 59.5 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.522 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.94 84.76 3.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 79.2 p -162.25 144.93 11.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.631 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.17 121.62 23.41 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -139.06 158.62 43.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.877 0.37 . . . . 0.0 110.408 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 94.7 p -159.65 158.6 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.754 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.9 156.71 30.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.638 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -129.17 145.94 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.601 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.6 m -122.79 126.01 46.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.061 0.458 . . . . 0.0 110.683 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -140.28 141.46 35.8 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.7 -51.98 1.81 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.424 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 27.3 t -135.51 141.86 45.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.232 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.99 76.47 1.33 Allowed Glycine 0 C--O 1.224 -0.505 0 C-N-CA 120.276 -0.964 . . . . 0.0 112.208 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 34.86 72.54 0.09 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.98 94.93 0.63 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 67.6 87.8 0.12 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.871 0.367 . . . . 0.0 110.162 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -159.78 147.54 16.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.731 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.39 146.18 51.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.447 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 49.68 40.66 20.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.39 -37.54 78.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.613 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 58.5 m -131.98 144.83 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.485 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -146.44 54.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.27 149.31 42.15 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -109.62 17.08 21.69 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.52 -61.21 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.832 0.349 . . . . 0.0 110.576 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.67 126.93 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.53 105.19 6.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.598 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -113.84 131.0 56.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.513 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.27 -160.95 0.92 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.74 -58.77 3.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.493 0.187 . . . . 0.0 110.675 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.6 -99.83 1.27 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.555 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.37 121.46 44.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.599 0.238 . . . . 0.0 110.646 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -168.62 133.02 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.659 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 29.6 t -104.45 125.8 50.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.603 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 71' ' ' THR . . . . . 0.563 HG22 ' HD2' ' I' ' 72' ' ' PRO . 0.1 OUTLIER -78.41 169.92 18.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.827 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 72' ' ' PRO . . . . . 0.563 ' HD2' HG22 ' I' ' 71' ' ' THR . 52.0 Cg_exo -54.32 103.39 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.631 2.221 . . . . 0.0 112.52 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.18 112.6 2.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.789 0.328 . . . . 0.0 110.575 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.43 121.15 0.34 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 59.0 83.73 0.12 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.618 0.247 . . . . 0.0 110.699 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.88 -89.62 0.08 OUTLIER Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 54.7 m -141.19 161.45 37.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.78 0.324 . . . . 0.0 111.071 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.27 103.39 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.648 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.42 85.44 0.4 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.78 -128.58 2.35 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -90.11 53.66 2.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.976 0.417 . . . . 0.0 110.468 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.05 -133.02 52.74 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 41.82 51.18 4.11 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.234 0.54 . . . . 0.0 110.517 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.8 83.53 1.8 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.654 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.11 123.07 25.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.688 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.79 -175.52 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 0.0 111.024 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -153.5 140.49 19.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.378 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.25 -173.62 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 95.7 p -151.12 161.32 42.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.07 113.8 15.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -129.79 100.94 5.67 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.091 0.472 . . . . 0.0 111.066 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.35 54.1 0.55 Allowed Glycine 0 CA--C 1.527 0.834 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.66 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.61 114.32 26.23 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.634 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -145.02 133.59 22.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.784 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 70.1 m -125.1 127.34 46.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.471 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.06 -165.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.685 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.531 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 52.0 86.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.7 t -141.58 134.72 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.587 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.55 130.97 10.42 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -127.83 127.18 43.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 110.605 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.2 t -147.7 145.97 29.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.56 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.91 -171.5 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.792 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.95 159.11 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -127.21 130.27 49.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.681 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -127.4 149.54 50.03 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.323 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.22 -52.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -134.95 132.16 38.09 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.592 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.38 74.89 0.79 Allowed Glycine 0 CA--C 1.527 0.807 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.061 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.517 ' HD2' ' HH ' ' A' ' 55' ' ' TYR . 70.7 m-85 29.13 69.99 0.07 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.164 0.567 . . . . 0.0 112.368 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.82 93.96 0.23 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 67.07 94.72 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.7 t -160.72 149.46 16.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.82 138.36 53.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.517 ' HH ' ' HD2' ' A' ' 50' ' ' TYR . 89.6 m-85 -129.46 143.73 50.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -149.66 137.92 20.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.487 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -156.18 160.83 40.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.648 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -132.42 148.65 52.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.46 -151.97 48.9 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.04 139.7 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.564 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.8 116.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.66 118.78 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.467 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.73 100.34 11.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.658 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.6 m -115.14 128.65 56.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.416 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.13 -166.64 1.07 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -54.83 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 111.116 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.42 -105.89 1.34 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.421 HG21 ' HB2' ' A' ' 96' ' ' SER . 44.6 p -108.36 107.76 18.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.148 0.499 . . . . 0.0 110.136 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.1 135.58 20.63 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.695 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.2 m -110.68 136.25 50.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.117 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.407 ' C ' ' OG1' ' B' ' 71' ' ' THR . 33.4 p -73.8 166.0 48.2 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.465 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.402 ' N ' ' OG1' ' B' ' 71' ' ' THR . 44.8 Cg_endo -88.6 105.49 0.46 Allowed 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.523 2.149 . . . . 0.0 113.671 -176.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -57.29 120.04 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.243 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.98 -87.81 0.27 Allowed Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -129.22 86.94 2.49 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.493 0.663 . . . . 0.0 110.621 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.34 104.63 2.99 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.245 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.76 122.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 111.124 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 85.6 m -110.38 110.28 21.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.86 90.51 0.61 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.74 123.38 0.69 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -93.79 -40.98 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.4 -67.82 1.14 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -148.39 112.82 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.22 84.72 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.345 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.9 118.6 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.354 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.0 p -145.46 167.1 23.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 111.17 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.4 t -139.13 129.7 25.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.011 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.15 173.08 16.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.901 0.381 . . . . 0.0 111.177 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.1 p -166.68 157.85 12.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -164.05 175.35 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.73 75.15 0.05 Allowed 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.38 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.19 49.95 0.13 Allowed Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -97.65 114.28 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.625 0.25 . . . . 0.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.97 128.57 38.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.27 119.32 28.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.285 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.421 ' HB2' HG21 ' A' ' 68' ' ' THR . 6.1 t 66.14 -165.63 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.425 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 51.98 86.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -141.61 134.69 29.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.523 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.62 131.01 10.44 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -127.7 127.36 43.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.344 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 48.3 t -147.82 145.99 28.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.89 -171.49 2.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.675 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -70.97 159.21 35.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.4 m -127.33 130.18 49.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.686 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -127.11 149.2 50.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.49 -52.3 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.04 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.78 132.44 38.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.492 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 109.98 77.23 0.93 Allowed Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.714 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.522 ' HD2' ' HH ' ' B' ' 55' ' ' TYR . 69.5 m-85 26.24 70.77 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.06 94.01 0.24 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.19 94.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.83 0.348 . . . . 0.0 110.129 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 32.7 t -160.71 149.46 16.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.82 138.41 53.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.522 ' HH ' ' HD2' ' B' ' 50' ' ' TYR . 89.7 m-85 -129.54 143.76 50.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.71 137.88 20.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.458 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 97.5 p -156.14 160.73 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.609 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -132.35 148.59 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.51 -152.04 48.91 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -68.06 139.7 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.615 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 12.5 p -179.73 116.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.587 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.61 118.78 21.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.494 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.81 100.45 11.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -115.03 128.74 56.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.42 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.33 -166.51 1.12 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.41 -54.83 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.646 0.26 . . . . 0.0 110.999 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.83 -106.39 1.36 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.421 HG21 ' HB2' ' B' ' 96' ' ' SER . 44.9 p -108.05 107.65 18.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.768 0.318 . . . . 0.0 110.201 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -148.05 134.86 20.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.714 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 66.0 m -109.84 136.05 49.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.132 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.426 ' C ' ' OG1' ' C' ' 71' ' ' THR . 36.0 p -74.06 166.64 42.77 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.288 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.409 ' N ' ' OG1' ' C' ' 71' ' ' THR . 44.3 Cg_endo -89.03 103.4 0.39 Allowed 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.803 2.335 . . . . 0.0 114.329 -175.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.25 120.17 6.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.492 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.06 -87.69 0.27 Allowed Glycine 0 CA--C 1.527 0.844 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.0 86.75 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.186 0.517 . . . . 0.0 110.59 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.98 105.03 3.01 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.63 122.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 86.5 m -110.17 110.15 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.351 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.68 90.75 0.63 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.84 123.5 0.7 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -93.95 -41.44 9.59 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.28 -67.48 1.21 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 45.5 t -148.42 112.86 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.22 84.86 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.331 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -126.01 118.19 24.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.362 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 96.8 p -145.01 167.16 23.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.018 0.437 . . . . 0.0 111.198 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -139.01 129.66 26.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.033 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.07 173.16 16.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.869 0.366 . . . . 0.0 111.325 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.71 157.84 12.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.613 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.1 t -164.0 175.37 10.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.675 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.94 77.0 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.11 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.36 50.09 0.11 Allowed Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.387 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -97.74 114.15 26.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 0.0 110.663 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.95 128.65 38.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.821 0.343 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.34 28.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.243 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' SER . . . . . 0.421 ' HB2' HG21 ' B' ' 68' ' ' THR . 6.1 t 66.18 -165.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.467 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 51.92 86.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.712 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 45.7 t -141.59 134.61 29.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.57 131.01 10.44 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -127.7 127.32 43.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.588 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 48.4 t -147.85 146.02 28.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.505 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.97 -171.48 2.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.683 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.99 159.13 35.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -127.17 130.08 49.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.68 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -127.05 149.2 50.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.526 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.48 -52.32 1.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.02 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.78 132.49 38.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.472 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 49' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 109.95 77.36 0.94 Allowed Glycine 0 C--O 1.222 -0.613 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.679 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 50' ' ' TYR . . . . . 0.521 ' HD2' ' HH ' ' C' ' 55' ' ' TYR . 68.5 m-85 26.18 70.83 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.17 93.96 0.24 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.19 94.54 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.841 0.353 . . . . 0.0 110.144 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.72 149.44 16.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -125.85 138.44 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' TYR . . . . . 0.521 ' HH ' ' HD2' ' C' ' 50' ' ' TYR . 89.6 m-85 -129.56 143.78 50.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.75 137.87 20.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.395 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 97.7 p -156.14 160.82 40.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.42 148.63 52.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.529 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.46 -152.1 49.07 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.88 139.62 56.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 0.0 110.657 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 12.3 p -179.79 116.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.523 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.57 118.77 21.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -100.83 100.47 11.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -115.0 128.88 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.368 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.44 -166.48 1.15 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -54.79 19.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.612 0.244 . . . . 0.0 111.037 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.74 -106.31 1.36 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.421 HG21 ' HB2' ' C' ' 96' ' ' SER . 45.0 p -108.07 107.61 18.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 110.204 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -148.0 135.03 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.572 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.91 135.94 49.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.426 ' OG1' ' C ' ' B' ' 71' ' ' THR . 36.7 p -74.05 166.68 42.42 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.26 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 72' ' ' PRO . . . . . 0.407 ' N ' ' OG1' ' D' ' 71' ' ' THR . 43.8 Cg_endo -89.08 103.2 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 122.705 2.27 . . . . 0.0 114.494 -175.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.05 120.2 6.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.537 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.08 -87.68 0.27 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.97 86.8 2.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.171 0.51 . . . . 0.0 110.583 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.06 105.15 3.02 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.55 122.24 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.842 0.353 . . . . 0.0 111.077 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m -110.29 110.26 21.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.333 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.59 90.75 0.63 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.82 123.46 0.69 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -93.91 -41.38 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.27 -67.5 1.2 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 45.3 t -148.45 112.96 5.32 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 84.73 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.366 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.91 118.16 24.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.376 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 96.6 p -144.96 167.24 23.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.12 129.74 25.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.993 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.12 173.11 16.91 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.307 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 97.8 p -166.76 157.7 12.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.646 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -163.94 175.18 10.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.621 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.85 77.34 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.161 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.52 50.17 0.11 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -97.75 114.17 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.676 0.274 . . . . 0.0 110.665 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.97 128.64 38.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.33 119.35 29.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.253 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 96' ' ' SER . . . . . 0.421 ' HB2' HG21 ' C' ' 68' ' ' THR . 6.1 t 66.13 -165.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.625 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 22.1 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.452 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 51.91 86.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.701 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 45.6 t -141.59 134.65 29.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.563 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.53 130.94 10.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -127.77 127.39 43.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.471 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 48.4 t -147.82 146.01 28.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.91 -171.47 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.724 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.05 159.14 35.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -127.3 130.12 48.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.71 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.07 149.16 50.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.494 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.51 -52.41 1.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.937 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.56 132.71 39.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 49' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 109.79 77.45 0.95 Allowed Glycine 0 C--O 1.223 -0.567 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.689 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 50' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' D' ' 49' ' ' GLY . 69.4 m-85 26.11 70.85 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 178.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.17 93.96 0.24 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.27 94.46 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.842 0.353 . . . . 0.0 110.12 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.63 149.5 16.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.91 138.43 53.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.466 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -129.6 143.7 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.724 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 47.1 t -149.64 137.87 20.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.448 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.12 160.74 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.603 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -132.38 148.65 52.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.51 -151.98 48.84 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -68.11 139.65 56.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.639 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.73 116.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.44 118.83 20.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.486 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.9 100.38 11.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -115.12 128.75 56.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.448 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.26 -166.52 1.1 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.39 -54.68 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.583 0.23 . . . . 0.0 111.069 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.64 -106.24 1.36 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 68' ' ' THR . . . . . 0.422 HG21 ' HB2' ' D' ' 96' ' ' SER . 45.0 p -108.12 107.56 18.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.746 0.307 . . . . 0.0 110.317 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -147.97 135.01 20.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.709 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 66.4 m -109.89 136.06 49.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 71' ' ' THR . . . . . 0.427 ' C ' ' OG1' ' E' ' 71' ' ' THR . 36.5 p -74.13 166.79 41.52 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.201 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 72' ' ' PRO . . . . . 0.421 ' HB3' ' C ' ' E' ' 72' ' ' PRO . 43.2 Cg_endo -89.25 103.19 0.37 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.762 2.308 . . . . 0.0 114.529 -175.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.91 120.03 6.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.628 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.02 -87.62 0.27 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.86 86.77 2.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.133 0.492 . . . . 0.0 110.571 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.03 105.19 3.03 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.68 122.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.381 . . . . 0.0 111.066 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 87.1 m -110.07 110.21 21.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.508 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.75 90.81 0.63 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.74 123.55 0.7 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -94.0 -41.3 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.32 -67.39 1.24 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.5 112.98 5.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.901 0.381 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 84.74 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.92 118.12 24.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.354 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 97.3 p -144.93 167.21 23.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.921 0.391 . . . . 0.0 111.222 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.15 129.63 25.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.969 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.06 173.06 17.02 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.32 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.67 157.79 12.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -163.96 175.16 10.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.629 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.83 77.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.64 50.16 0.11 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -97.74 114.17 26.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.652 0.263 . . . . 0.0 110.651 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.98 128.58 38.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.919 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.39 29.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.21 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 96' ' ' SER . . . . . 0.422 ' HB2' HG21 ' D' ' 68' ' ' THR . 6.1 t 66.14 -165.76 0.22 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.598 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.366 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 51.71 86.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 45.6 t -141.75 134.38 28.42 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.484 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.4 130.77 10.33 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -127.64 127.42 43.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.338 . . . . 0.0 110.62 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 48.4 t -147.85 145.98 28.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.548 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.96 -171.52 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -70.93 159.16 35.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 94.5 m -127.37 130.28 49.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.628 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -126.96 149.25 49.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.536 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 47' ' ' THR . . . . . 0.423 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -123.23 -50.25 1.91 Allowed 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 119.458 -0.897 . . . . 0.0 111.994 177.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' E' E ' 48' ' ' SER . . . . . 0.423 ' N ' HG22 ' E' ' 47' ' ' THR . 43.3 t -131.31 131.17 43.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.8 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 49' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.76 71.98 0.63 Allowed Glycine 0 C--O 1.218 -0.885 0 C-N-CA 118.385 -1.864 . . . . 0.0 112.818 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 50' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' E' ' 49' ' ' GLY . 69.9 m-85 25.83 75.69 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.241 0.617 . . . . 0.0 111.128 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.09 92.04 0.29 Allowed Glycine 0 CA--C 1.517 0.167 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.98 94.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.39 . . . . 0.0 110.081 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.7 149.54 16.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.507 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.81 138.5 53.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.532 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -129.6 143.77 50.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.766 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -149.67 137.86 20.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.45 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -156.15 160.8 40.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.565 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -132.41 148.64 52.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.601 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.44 -152.04 49.02 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.85 139.61 56.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.745 0.307 . . . . 0.0 110.672 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 12.5 p -179.77 116.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.579 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.57 118.61 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -100.62 100.21 10.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -115.0 128.75 56.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.291 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.92 -166.69 1.01 Allowed Glycine 0 CA--C 1.525 0.667 0 O-C-N 123.909 0.755 . . . . 0.0 111.512 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.26 -54.83 18.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.667 0.27 . . . . 0.0 111.089 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.22 -106.15 1.38 Allowed Glycine 0 N--CA 1.465 0.579 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 68' ' ' THR . . . . . 0.417 HG21 ' HB2' ' E' ' 96' ' ' SER . 45.6 p -108.09 107.3 17.9 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.79 135.67 21.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.419 0.628 . . . . 0.0 110.54 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -110.67 136.53 49.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 71' ' ' THR . . . . . 0.434 ' C ' ' OG1' ' F' ' 71' ' ' THR . 37.8 p -74.29 166.83 41.39 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.335 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 72' ' ' PRO . . . . . 0.421 ' C ' ' HB3' ' D' ' 72' ' ' PRO . 53.0 Cg_endo -90.49 107.89 0.34 Allowed 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.271 1.314 . . . . 0.0 113.285 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -57.7 120.43 8.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.432 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.79 -87.26 0.27 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -128.88 85.13 2.29 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.015 0.436 . . . . 0.0 110.964 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.42 103.56 2.73 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.3 122.01 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.991 0.424 . . . . 0.0 111.076 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 85.5 m -109.75 110.24 21.19 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.088 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.08 90.81 0.64 Allowed Glycine 0 CA--C 1.541 1.693 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.55 121.59 0.58 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -90.28 -45.85 8.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.498 -0.351 . . . . 0.0 111.762 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -43.33 -67.52 0.97 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 45.3 t -148.42 112.96 5.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.06 84.26 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.197 0.936 . . . . 0.0 110.706 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.63 117.33 23.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.399 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 96.8 p -144.57 167.0 23.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.16 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 43.2 t -139.0 129.65 26.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.02 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.11 173.09 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.304 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 97.2 p -166.48 157.36 12.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.7 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 48.1 t -162.88 175.69 10.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.759 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.78 76.89 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.207 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.48 49.97 0.11 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -96.29 113.94 25.58 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.959 -0.141 . . . . 0.0 110.986 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.96 128.75 39.1 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.03 119.31 29.16 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.754 0.659 . . . . 0.0 109.991 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 96' ' ' SER . . . . . 0.417 ' HB2' HG21 ' E' ' 68' ' ' THR . 6.0 t 66.27 -165.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.738 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.44 -179.923 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 51.99 86.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.789 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 45.8 t -141.57 134.65 29.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.561 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.61 131.04 10.45 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -127.78 127.43 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.507 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 48.3 t -147.89 146.02 28.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.99 -171.48 2.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.672 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.99 159.17 35.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -127.36 130.16 48.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.646 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.06 149.1 50.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.55 -52.23 1.93 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.031 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.67 132.51 39.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.438 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 109.85 77.64 0.96 Allowed Glycine 0 C--O 1.222 -0.628 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.695 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 50' ' ' TYR . . . . . 0.514 ' HD2' ' HH ' ' F' ' 55' ' ' TYR . 69.2 m-85 25.76 70.94 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.2 93.91 0.24 Allowed Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.26 94.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 110.159 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.71 149.46 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.86 138.35 53.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.566 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 55' ' ' TYR . . . . . 0.514 ' HH ' ' HD2' ' F' ' 50' ' ' TYR . 89.5 m-85 -129.43 143.71 50.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.69 137.92 20.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.418 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.2 160.75 40.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.555 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -132.34 148.59 52.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.53 -152.03 48.86 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.88 139.62 56.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.773 0.321 . . . . 0.0 110.637 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.82 116.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.606 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.5 118.83 21.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.91 100.43 11.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -114.99 128.99 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.54 -166.37 1.16 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -54.97 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.668 0.27 . . . . 0.0 110.999 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.93 -106.43 1.36 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 68' ' ' THR . . . . . 0.417 HG21 ' HB2' ' F' ' 96' ' ' SER . 45.2 p -107.98 107.66 18.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -148.06 135.09 20.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 66.7 m -110.06 136.03 49.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 71' ' ' THR . . . . . 0.434 ' OG1' ' C ' ' E' ' 71' ' ' THR . 36.9 p -74.1 166.77 41.73 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.246 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 72' ' ' PRO . . . . . 0.407 ' C ' ' HB3' ' E' ' 72' ' ' PRO . 44.1 Cg_endo -89.22 103.18 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.706 2.271 . . . . 0.0 114.459 -175.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.93 120.1 6.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.518 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.06 -87.86 0.27 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.53 86.6 2.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.12 0.486 . . . . 0.0 110.613 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.96 105.11 3.01 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.48 122.22 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.929 0.395 . . . . 0.0 111.056 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 86.8 m -110.17 110.23 21.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.369 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.63 90.82 0.63 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.79 123.45 0.69 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -93.93 -41.34 9.65 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.21 -67.52 1.19 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.4 112.95 5.33 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.3 84.75 2.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.295 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -125.94 118.13 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.353 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 96.6 p -145.02 167.2 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 111.182 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 43.4 t -139.04 129.61 25.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.123 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.05 173.09 16.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.362 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 97.1 p -166.7 157.76 12.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.636 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.91 175.3 10.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.641 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.92 77.45 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.62 50.19 0.11 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -97.75 114.17 26.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.749 0.309 . . . . 0.0 110.651 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.95 128.56 38.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.25 119.3 28.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.268 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 96' ' ' SER . . . . . 0.417 ' HB2' HG21 ' F' ' 68' ' ' THR . 6.1 t 66.11 -165.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.442 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 51.85 86.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.684 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 45.6 t -141.57 134.54 28.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.615 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.53 131.01 10.44 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -127.68 127.4 43.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.801 0.334 . . . . 0.0 110.616 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 48.3 t -147.89 145.92 28.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.521 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.92 -171.49 2.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.672 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.01 159.17 35.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -127.2 130.14 49.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.703 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.15 149.15 50.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.506 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.41 -52.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.056 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 48.5 t -134.75 132.49 38.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.471 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 49' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 109.9 77.4 0.94 Allowed Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.624 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 50' ' ' TYR . . . . . 0.512 ' HD2' ' HH ' ' G' ' 55' ' ' TYR . 68.5 m-85 26.16 70.88 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.21 93.97 0.25 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.19 94.47 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.803 0.335 . . . . 0.0 110.144 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.63 149.5 16.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.536 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.9 138.36 53.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 55' ' ' TYR . . . . . 0.512 ' HH ' ' HD2' ' G' ' 50' ' ' TYR . 89.4 m-85 -129.52 143.73 50.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.786 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 47.1 t -149.69 137.84 20.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.402 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 95.8 p -156.09 160.81 40.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.39 148.66 52.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.43 -151.98 48.96 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.97 139.61 56.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 110.56 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.75 116.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.527 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.53 118.79 21.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.82 100.44 11.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -115.0 128.88 56.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.371 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.42 -166.47 1.14 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -54.79 19.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.589 0.233 . . . . 0.0 111.021 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.74 -106.41 1.37 Allowed Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 68' ' ' THR . . . . . 0.415 HG21 ' HB2' ' G' ' 96' ' ' SER . 45.3 p -108.03 107.59 18.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.718 0.294 . . . . 0.0 110.223 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.99 134.93 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.6 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.86 136.05 49.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.186 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 71' ' ' THR . . . . . 0.428 ' OG1' ' C ' ' F' ' 71' ' ' THR . 35.6 p -74.01 166.76 41.72 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.292 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 72' ' ' PRO . . . . . 0.404 ' C ' ' HB3' ' F' ' 72' ' ' PRO . 43.7 Cg_endo -89.22 103.18 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.771 2.314 . . . . 0.0 114.43 -175.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.91 120.13 6.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.575 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.04 -87.53 0.27 Allowed Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.1 86.79 2.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.208 0.528 . . . . 0.0 110.551 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.99 105.06 3.01 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.65 122.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.901 0.381 . . . . 0.0 111.11 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 87.2 m -110.21 110.22 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.355 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.58 90.72 0.63 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.84 123.48 0.69 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -93.91 -41.5 9.58 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.18 -67.48 1.2 Allowed Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 45.1 t -148.47 112.93 5.31 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.3 84.82 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.332 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -125.96 118.09 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.383 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 97.0 p -144.95 167.19 23.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.99 0.424 . . . . 0.0 111.162 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -139.01 129.65 25.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.064 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.11 173.17 16.84 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.3 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.7 157.76 12.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.92 175.25 10.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.722 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.89 77.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.754 0.312 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.65 50.18 0.11 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -97.86 114.16 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.91 128.61 38.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.43 29.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 96' ' ' SER . . . . . 0.415 ' HB2' HG21 ' G' ' 68' ' ' THR . 6.1 t 66.1 -165.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.401 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 52.0 86.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.657 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 45.5 t -141.6 134.5 28.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.53 131.04 10.46 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -127.78 127.44 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.531 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 48.4 t -147.84 145.94 28.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.91 -171.54 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.662 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 83.3 p -70.9 159.2 35.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -127.37 130.14 48.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.662 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -127.08 149.06 50.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.561 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.48 -52.28 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.05 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -134.72 132.47 38.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.503 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 49' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 109.97 77.32 0.93 Allowed Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.776 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 50' ' ' TYR . . . . . 0.522 ' HD2' ' HH ' ' H' ' 55' ' ' TYR . 69.2 m-85 26.22 70.82 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.25 94.05 0.25 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.21 94.43 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.173 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.64 149.41 16.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.618 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.83 138.38 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 55' ' ' TYR . . . . . 0.522 ' HH ' ' HD2' ' H' ' 50' ' ' TYR . 89.7 m-85 -129.46 143.73 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 47.0 t -149.73 137.92 20.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.408 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.16 160.78 40.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.628 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.38 148.69 52.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.37 -152.01 49.09 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.98 139.62 56.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 0.0 110.643 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.75 116.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.48 118.72 20.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.582 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.81 100.37 11.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.2 m -115.04 128.9 56.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.36 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.43 -166.4 1.13 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -54.9 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.623 0.249 . . . . 0.0 111.039 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.91 -106.33 1.35 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 68' ' ' THR . . . . . 0.41 HG21 ' HB2' ' H' ' 96' ' ' SER . 45.6 p -108.03 107.54 18.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.98 135.0 20.27 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.572 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.88 136.1 49.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 71' ' ' THR . . . . . 0.428 ' OG1' ' C ' ' G' ' 71' ' ' THR . 36.9 p -74.12 166.88 40.74 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.252 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 72' ' ' PRO . . . . . 0.402 ' C ' ' HB3' ' G' ' 72' ' ' PRO . 44.1 Cg_endo -89.25 103.09 0.37 Allowed 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.809 2.339 . . . . 0.0 114.418 -175.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.9 120.11 6.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.579 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.09 -87.65 0.27 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.77 86.66 2.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.084 0.468 . . . . 0.0 110.598 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.93 105.24 3.02 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.47 122.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.147 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m -110.09 110.29 21.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.378 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.67 90.9 0.63 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.78 123.53 0.7 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -94.08 -41.35 9.58 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.32 -67.43 1.23 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.768 -0.533 . . . . 0.0 111.768 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -148.42 112.92 5.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.958 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.24 84.71 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.344 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.91 118.08 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.468 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 96.7 p -144.95 167.21 23.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.981 0.419 . . . . 0.0 111.218 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.09 129.63 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.026 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.09 173.06 17.01 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.289 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 97.6 p -166.69 157.71 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.627 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.95 175.08 10.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.721 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.74 77.82 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.88 50.25 0.11 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.414 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -97.81 114.08 26.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.352 . . . . 0.0 110.675 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.88 128.62 38.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.35 119.27 28.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.241 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 96' ' ' SER . . . . . 0.41 ' HB2' HG21 ' H' ' 68' ' ' THR . 6.1 t 66.16 -165.9 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.428 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 51.9 86.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 45.8 t -141.53 134.65 29.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.66 131.06 10.46 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -127.59 127.59 44.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.699 0.285 . . . . 0.0 110.558 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 48.2 t -147.97 145.97 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.543 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -171.51 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.674 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.05 159.29 35.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.9 m -127.49 130.02 48.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.683 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -127.31 148.27 50.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.626 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 47' ' ' THR . . . . . 0.4 HG22 ' N ' ' I' ' 48' ' ' SER . 1.0 OUTLIER -121.96 -52.82 1.97 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.992 179.784 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' I' I ' 48' ' ' SER . . . . . 0.4 ' N ' HG22 ' I' ' 47' ' ' THR . 48.1 t -134.17 132.71 40.11 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.482 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 109.97 77.38 0.94 Allowed Glycine 0 C--O 1.223 -0.541 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.635 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 50' ' ' TYR . . . . . 0.524 ' HD2' ' HH ' ' I' ' 55' ' ' TYR . 68.2 m-85 25.94 72.26 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.28 93.98 0.31 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 67.22 93.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.837 0.351 . . . . 0.0 110.188 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.14 149.6 17.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -125.89 138.45 53.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 55' ' ' TYR . . . . . 0.524 ' HH ' ' HD2' ' I' ' 50' ' ' TYR . 89.7 m-85 -129.59 143.76 50.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.79 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.71 137.93 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.448 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 96.8 p -156.24 160.78 40.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.601 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -132.34 148.6 52.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.45 -152.01 48.96 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.94 139.63 56.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.79 0.328 . . . . 0.0 110.659 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.77 116.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.571 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.53 118.7 20.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.543 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.83 100.45 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -114.86 129.13 56.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.67 -166.23 1.18 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.73 -54.59 22.09 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.308 -0.157 . . . . 0.0 111.01 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.81 -106.58 1.39 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 68' ' ' THR . . . . . 0.408 HG21 ' HB2' ' I' ' 96' ' ' SER . 47.7 p -107.82 107.31 18.01 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -147.71 134.89 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.8 m -109.79 135.85 50.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 111.002 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 71' ' ' THR . . . . . 0.416 ' OG1' ' C ' ' H' ' 71' ' ' THR . 41.8 p -73.21 168.07 28.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -89.6 103.61 0.35 Allowed 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 122.749 2.299 . . . . 0.0 114.341 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -55.21 120.57 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.16 -87.41 0.27 Allowed Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.64 86.4 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 110.478 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.56 105.56 3.02 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.47 122.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.808 0.337 . . . . 0.0 111.041 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 89.1 m -110.07 110.2 21.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.41 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.4 90.93 0.64 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.87 123.5 0.7 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -94.0 -41.49 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.615 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.09 -67.25 1.24 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.57 112.99 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.34 84.89 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.366 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -126.04 118.06 24.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.353 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 97.1 p -144.91 166.99 23.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.972 0.415 . . . . 0.0 111.132 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -138.78 129.68 26.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.043 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.22 172.75 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 111.282 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -166.34 157.74 13.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.606 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -163.93 174.59 11.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.75 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -171.44 79.6 0.07 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.03 50.32 0.1 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 178.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -97.9 114.02 25.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.691 0.281 . . . . 0.0 110.602 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.98 128.68 38.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.43 119.4 29.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.218 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 96' ' ' SER . . . . . 0.408 ' HB2' HG21 ' I' ' 68' ' ' THR . 6.0 t 66.18 -165.89 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.617 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 22.1 t80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.436 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.28 117.16 28.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.447 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -133.02 100.05 4.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.645 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.58 167.76 18.92 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 51.9 74.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.656 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.2 p -91.03 13.22 17.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.832 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -130.38 -160.28 1.03 Allowed 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.594 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -96.47 152.92 18.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.044 0.45 . . . . 0.0 111.561 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.5 m -128.96 125.89 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.497 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.29 139.69 25.93 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.892 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -93.52 -41.94 9.5 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.421 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -134.86 171.91 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.598 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.92 69.63 1.37 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.806 -0.518 . . . . 0.0 111.806 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.528 ' HD2' ' HH ' ' A' ' 55' ' ' TYR . 69.5 m-85 26.62 72.24 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.17 91.75 0.3 Allowed Glycine 0 CA--C 1.522 0.476 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 68.1 93.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.834 0.35 . . . . 0.0 110.067 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -158.44 145.44 17.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.4 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -126.64 145.82 50.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.71 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.528 ' HH ' ' HD2' ' A' ' 50' ' ' TYR . 92.9 m-85 -131.23 143.43 50.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.398 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.45 136.78 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.739 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 t -156.76 144.8 19.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.488 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.22 132.76 56.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.617 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.47 133.52 4.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.32 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.772 0.32 . . . . 0.0 110.67 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.56 140.53 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.65 67.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.84 117.52 34.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -128.14 131.34 48.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.52 -162.28 0.6 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.36 -53.39 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.943 0.401 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.57 -99.93 1.28 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.6 p -111.22 104.61 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.404 . . . . 0.0 110.396 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -161.07 173.75 14.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.544 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.7 t -139.54 130.62 26.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.251 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.0 p -69.0 173.35 3.75 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -90.82 104.62 0.28 Allowed 'Trans proline' 0 N--CA 1.487 1.123 0 C-N-CA 122.388 2.059 . . . . 0.0 114.611 -176.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.429 ' OE1' ' NE2' ' A' ' 93' ' ' GLN . 25.3 mp0 -59.95 133.28 55.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.184 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.99 -91.73 0.32 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.24 -58.78 2.09 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.819 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.17 107.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.87 95.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.3 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.9 m -88.35 106.35 18.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.142 0.496 . . . . 0.0 110.592 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.87 -149.96 15.28 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.24 72.68 0.44 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -48.35 168.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.674 0.274 . . . . 0.0 110.661 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.39 47.88 1.27 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 66.74 140.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.1 m -103.78 -65.63 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.443 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.35 78.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.688 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.4 m -157.57 162.93 38.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.975 0.416 . . . . 0.0 111.237 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.6 p -144.16 148.5 35.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.041 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.88 166.53 15.5 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.028 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -164.18 162.32 22.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.68 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -163.57 158.17 20.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.91 72.27 0.25 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.23 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.22 50.04 0.09 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.429 ' NE2' ' OE1' ' A' ' 73' ' ' GLN . 15.8 mp0 -97.76 119.06 35.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.874 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.69 136.01 30.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.0 m -130.58 122.48 27.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.295 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t 53.61 57.41 6.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.548 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.22 117.21 28.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.458 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -133.11 99.96 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.678 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.52 167.66 18.89 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 51.99 74.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 110.648 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 89.4 p -91.05 13.1 17.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.42 -160.48 1.04 Allowed 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.569 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.27 152.86 18.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.119 0.485 . . . . 0.0 111.455 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 82.7 m -128.91 126.01 38.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.564 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.5 139.72 25.67 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.091 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.77 -41.89 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.381 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -134.71 172.74 12.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 110.542 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 74.18 70.74 1.2 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.716 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.529 ' HD2' ' HH ' ' B' ' 55' ' ' TYR . 68.1 m-85 25.37 72.78 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.6 91.73 0.33 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.21 93.8 0.07 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.912 0.387 . . . . 0.0 110.021 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -158.44 145.41 17.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.434 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -126.7 145.82 50.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.694 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' TYR . . . . . 0.529 ' HH ' ' HD2' ' B' ' 50' ' ' TYR . 92.9 m-85 -131.2 143.38 50.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.43 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -146.44 136.85 23.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.73 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -156.81 144.85 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.439 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.27 132.78 56.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.607 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.49 133.45 4.97 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.44 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.59 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 47.1 t -148.57 140.44 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.55 66.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.78 117.56 34.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.52 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -127.94 131.57 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.82 -162.15 0.64 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.58 -53.26 24.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.639 0.257 . . . . 0.0 110.734 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.7 -100.26 1.31 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 28.7 p -111.05 104.45 13.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.665 0.269 . . . . 0.0 110.434 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.86 174.04 14.45 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.415 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.4 t -139.67 130.61 26.23 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.177 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.27 173.66 3.62 Favored Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -91.14 102.35 0.25 Allowed 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.559 2.173 . . . . 0.0 115.159 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' B' ' 93' ' ' GLN . 25.2 mp0 -57.76 133.31 55.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.399 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.98 -91.77 0.32 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.82 -58.93 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.631 0.253 . . . . 0.0 110.811 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.32 108.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.74 95.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.878 0.37 . . . . 0.0 110.305 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 59.6 m -88.14 106.24 18.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.84 -149.23 14.7 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.02 72.77 0.42 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -48.41 168.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.33 48.1 1.25 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 66.91 141.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m -104.29 -65.56 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.343 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.42 77.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.717 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 65.6 m -157.53 162.92 38.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 0.0 111.15 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 92.3 p -144.13 148.41 35.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.043 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.86 166.53 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.064 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.08 162.3 22.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.777 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 31.4 t -163.54 158.25 20.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.9 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.25 74.09 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.081 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.62 50.04 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' B' ' 73' ' ' GLN . 15.8 mp0 -97.67 118.96 35.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.78 136.19 30.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.67 122.32 27.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.348 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.74 57.39 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.464 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.612 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.34 117.17 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -133.13 100.2 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.621 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.64 167.73 18.99 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 51.9 74.83 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 110.66 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 89.3 p -91.09 13.21 17.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.779 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.42 -160.49 1.04 Allowed 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.639 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -96.25 152.78 18.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.09 0.471 . . . . 0.0 111.572 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 80.7 m -128.81 126.01 38.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.544 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.44 139.72 25.75 Favored 'General case' 0 C--O 1.22 -0.463 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.137 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.74 -41.93 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.443 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.75 172.74 12.54 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.548 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 74.15 70.82 1.19 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.66 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 50' ' ' TYR . . . . . 0.522 ' HD2' ' HH ' ' C' ' 55' ' ' TYR . 67.8 m-85 25.23 72.91 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.71 91.72 0.34 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.29 93.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.46 145.26 17.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.423 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -126.6 145.81 50.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.731 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' TYR . . . . . 0.522 ' HH ' ' HD2' ' C' ' 50' ' ' TYR . 92.7 m-85 -131.24 143.46 50.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.399 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.48 136.77 23.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.697 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -156.78 144.89 19.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.438 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.27 132.8 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.634 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.43 133.42 4.94 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.45 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.644 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 47.1 t -148.55 140.53 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.64 66.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.76 117.55 34.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 93.1 m -127.96 131.67 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.98 -162.14 0.67 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.5 -53.3 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.737 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.76 -100.27 1.31 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -111.08 104.51 13.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.678 0.275 . . . . 0.0 110.349 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.86 174.03 14.46 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.519 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.64 130.54 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.139 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.33 173.69 3.63 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -90.99 102.14 0.25 Allowed 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.707 2.272 . . . . 0.0 115.181 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 73' ' ' GLN . . . . . 0.435 ' OE1' ' NE2' ' C' ' 93' ' ' GLN . 25.2 mp0 -57.62 133.35 55.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.401 179.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.0 -91.72 0.32 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -58.92 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.658 0.266 . . . . 0.0 110.791 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.4 108.05 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t 53.79 95.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.303 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 59.1 m -87.97 106.29 18.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.756 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.82 -149.45 14.91 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.12 72.85 0.41 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -48.48 168.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.69 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.36 48.05 1.25 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 66.97 141.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.37 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 22.7 m -104.37 -65.68 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.239 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.49 77.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 65.5 m -157.45 162.89 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.003 0.43 . . . . 0.0 111.148 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 92.1 p -144.02 148.55 35.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.058 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.93 166.49 15.41 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.164 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.16 162.22 22.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.775 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 31.2 t -163.48 158.21 20.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.22 74.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.126 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.51 50.08 0.08 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 93' ' ' GLN . . . . . 0.435 ' NE2' ' OE1' ' C' ' 73' ' ' GLN . 15.9 mp0 -97.73 118.83 35.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.64 136.16 30.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.64 122.4 27.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.355 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.78 57.22 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.554 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.54 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.31 117.11 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -133.03 100.11 4.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.628 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.59 167.77 18.93 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 51.79 74.93 0.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.962 0.411 . . . . 0.0 110.697 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 89.3 p -91.15 13.22 17.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.826 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.46 -160.51 1.05 Allowed 'General case' 0 C--O 1.232 0.135 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.565 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -96.23 152.81 18.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.049 0.452 . . . . 0.0 111.53 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 80.6 m -128.99 125.9 38.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.593 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.3 139.7 25.92 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.216 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -93.83 -41.86 9.41 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.344 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.86 172.72 12.59 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.562 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 74.18 70.86 1.18 Allowed Glycine 0 CA--C 1.525 0.713 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.671 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 50' ' ' TYR . . . . . 0.516 ' HD2' ' HH ' ' D' ' 55' ' ' TYR . 67.4 m-85 25.17 73.11 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.85 91.81 0.35 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.17 93.83 0.07 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.068 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.53 145.32 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.374 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 67.2 m -126.66 145.76 50.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.717 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 55' ' ' TYR . . . . . 0.516 ' HH ' ' HD2' ' D' ' 50' ' ' TYR . 92.9 m-85 -131.24 143.56 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.335 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.54 136.71 23.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -156.7 144.94 19.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.418 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.33 132.88 56.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.38 133.52 4.95 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.3 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.623 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 47.0 t -148.48 140.54 23.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.59 66.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.639 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.76 117.57 34.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.6 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -128.04 131.6 49.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.64 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.85 -162.05 0.64 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.6 -53.17 25.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.682 0.277 . . . . 0.0 110.795 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.58 -100.17 1.31 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -111.04 104.43 12.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.641 0.258 . . . . 0.0 110.48 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.87 174.04 14.44 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.452 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.65 130.58 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 111.117 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.41 173.84 3.53 Favored Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -91.2 102.19 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 122.629 2.219 . . . . 0.0 115.302 -175.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' D' ' 93' ' ' GLN . 25.2 mp0 -57.55 133.25 55.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.449 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.98 -91.64 0.32 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -58.95 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.791 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.35 108.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 11.6 t 53.76 95.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.952 0.406 . . . . 0.0 110.291 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 59.0 m -87.95 106.1 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.87 -149.36 14.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.15 72.83 0.41 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -48.45 168.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.596 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.26 48.05 1.26 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 67.08 141.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 22.3 m -104.36 -65.65 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.278 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.42 77.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 66.0 m -157.53 162.91 38.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 0.0 111.211 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 92.1 p -144.11 148.49 35.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.03 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.91 166.49 15.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.177 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.12 162.21 22.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.742 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 31.8 t -163.51 158.08 20.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.26 74.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.085 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.38 50.08 0.08 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 93' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' D' ' 73' ' ' GLN . 15.8 mp0 -97.71 118.93 35.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.75 136.06 30.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.61 122.34 27.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.379 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.75 57.25 6.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.581 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.35 116.85 28.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.436 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 43.8 t -132.69 99.7 4.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.35 167.72 18.69 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 51.83 74.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.927 0.394 . . . . 0.0 110.654 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 89.3 p -91.08 13.1 17.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.761 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.44 -160.59 1.05 Allowed 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.573 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.17 152.75 18.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.071 0.462 . . . . 0.0 111.554 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 82.0 m -128.95 126.22 39.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.572 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.82 140.26 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.245 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -95.26 -42.06 8.73 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.482 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -131.03 172.72 11.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.756 0.312 . . . . 0.0 111.3 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 49' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 75.0 70.76 1.22 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 50' ' ' TYR . . . . . 0.515 ' HD2' ' HH ' ' E' ' 55' ' ' TYR . 69.7 m-85 22.37 77.45 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 O-C-N 124.422 0.719 . . . . 0.0 111.667 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.66 90.38 0.47 Allowed Glycine 0 CA--C 1.518 0.22 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.68 94.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.951 0.405 . . . . 0.0 109.946 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.55 145.32 17.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 68.1 m -126.5 146.15 50.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 55' ' ' TYR . . . . . 0.515 ' HH ' ' HD2' ' E' ' 50' ' ' TYR . 93.0 m-85 -131.37 143.5 50.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.49 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.49 136.76 23.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.792 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -156.77 144.84 19.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.445 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.25 132.89 56.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.605 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.44 133.49 4.96 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.38 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.629 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.54 140.51 23.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.507 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.63 67.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.561 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -104.02 117.75 35.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.479 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -128.11 131.47 49.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.458 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.49 -162.24 0.59 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.42 -53.91 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.567 0.222 . . . . 0.0 110.628 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.13 -100.44 1.3 Allowed Glycine 0 N--CA 1.461 0.349 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 28.7 p -110.95 104.32 12.9 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.649 0.262 . . . . 0.0 110.418 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.79 174.01 14.53 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.455 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.64 130.59 26.25 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.136 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 7.8 p -69.36 173.81 3.54 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -92.64 107.67 0.21 Allowed 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 120.876 1.051 . . . . 0.0 113.903 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' E' ' 93' ' ' GLN . 25.2 mp0 -60.4 133.18 55.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.247 178.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.97 -90.99 0.32 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.45 -57.83 2.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.29 109.84 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.331 -1.108 . . . . 0.0 110.331 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t 51.63 97.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.29 0.566 . . . . 0.0 110.086 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 59.5 m -88.8 106.27 18.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.685 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.2 14.7 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.18 72.51 0.46 Allowed Glycine 0 N--CA 1.459 0.216 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -48.91 168.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.402 . . . . 0.0 110.492 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.42 49.0 1.15 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 66.22 142.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.351 0.596 . . . . 0.0 111.023 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.24 -66.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.48 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.67 78.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 66.0 m -157.6 162.89 38.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.948 0.404 . . . . 0.0 111.208 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 92.4 p -144.07 148.49 35.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.149 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.96 166.5 15.35 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.191 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 97.0 p -163.8 162.25 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.728 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 31.5 t -162.8 158.45 22.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -163.94 74.11 0.3 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.303 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.98 50.09 0.08 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 93' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' E' ' 73' ' ' GLN . 16.1 mp0 -96.36 118.62 33.28 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.943 -0.151 . . . . 0.0 111.076 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.65 136.22 30.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.682 0.277 . . . . 0.0 110.599 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 43.1 m -130.42 122.21 27.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.098 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 16.0 t 53.8 57.44 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.569 0.543 . . . . 0.0 110.556 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.596 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.31 117.07 28.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.459 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 43.1 t -133.05 100.05 4.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.655 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.5 167.73 18.84 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 51.9 74.83 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.373 . . . . 0.0 110.734 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 89.3 p -91.12 13.18 17.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.48 -160.46 1.04 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.632 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -96.22 152.87 18.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.079 0.466 . . . . 0.0 111.49 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 82.2 m -128.96 126.12 38.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.513 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.5 139.67 25.63 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 120.579 -0.449 . . . . 0.0 111.226 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.62 -42.0 9.43 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.397 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.66 172.98 12.19 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.559 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 73.86 71.09 1.15 Allowed Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.727 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 50' ' ' TYR . . . . . 0.506 ' HD2' ' HH ' ' F' ' 55' ' ' TYR . 66.7 m-85 24.84 73.07 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.79 91.77 0.35 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 68.21 93.75 0.07 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.4 145.34 17.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -126.6 145.84 50.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.697 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 55' ' ' TYR . . . . . 0.506 ' HH ' ' HD2' ' F' ' 50' ' ' TYR . 92.9 m-85 -131.29 143.46 50.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.388 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.5 136.83 23.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.692 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -156.77 144.92 19.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.378 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.24 132.8 56.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.639 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.5 133.57 5.02 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.34 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.644 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.5 140.55 23.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.526 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.63 66.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.564 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.82 117.62 34.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.503 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 93.4 m -128.05 131.66 49.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.487 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.92 -162.02 0.65 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.62 -53.32 24.77 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.755 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.7 -100.24 1.31 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -110.97 104.65 13.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.646 0.26 . . . . 0.0 110.46 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.97 174.09 14.31 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.467 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.71 130.57 26.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.074 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.36 173.61 3.72 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -91.03 102.14 0.25 Allowed 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.608 2.205 . . . . 0.0 115.268 -175.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' F' ' 93' ' ' GLN . 25.2 mp0 -57.45 133.36 55.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.409 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.93 -91.79 0.32 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.6 -59.01 2.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.778 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.42 108.16 0.01 OUTLIER Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.55 95.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.341 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 59.4 m -88.09 106.32 18.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.4 14.88 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.1 72.93 0.4 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -48.5 168.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.378 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.35 48.07 1.25 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 67.08 141.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 22.6 m -104.42 -65.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.25 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.48 77.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.706 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 65.9 m -157.54 162.93 38.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 111.186 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 92.3 p -144.07 148.37 35.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.107 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.78 166.57 15.67 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.734 -0.387 . . . . 0.0 111.116 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 97.5 p -164.23 162.24 22.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.672 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 31.7 t -163.45 158.19 20.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.18 74.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.057 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.43 50.07 0.08 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 93' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' F' ' 73' ' ' GLN . 15.8 mp0 -97.66 118.87 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.7 136.07 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 43.3 m -130.63 122.41 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.361 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.69 57.31 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.619 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -117.3 117.13 28.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.452 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -133.1 100.02 4.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.691 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.48 167.73 18.83 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 51.9 74.92 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.866 0.365 . . . . 0.0 110.716 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 89.1 p -91.22 13.23 17.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.782 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.5 -160.61 1.05 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.559 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 70.0 m -96.07 152.82 18.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.128 0.489 . . . . 0.0 111.52 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 81.2 m -128.93 125.92 38.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.544 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.37 139.68 25.81 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.167 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.74 -41.99 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.384 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.7 172.67 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.905 0.383 . . . . 0.0 110.577 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 74.16 70.92 1.17 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.689 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 50' ' ' TYR . . . . . 0.504 ' HD2' ' HH ' ' G' ' 55' ' ' TYR . 67.9 m-85 25.1 73.02 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.69 91.78 0.34 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.14 93.77 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.063 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 47.7 t -158.42 145.31 17.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.411 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -126.58 145.9 50.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.696 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 55' ' ' TYR . . . . . 0.504 ' HH ' ' HD2' ' G' ' 50' ' ' TYR . 92.9 m-85 -131.32 143.34 50.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.43 136.8 23.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.708 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 47.5 t -156.77 144.88 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.443 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.21 132.81 56.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.664 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.35 133.48 4.92 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.43 -174.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.313 . . . . 0.0 110.66 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.45 140.55 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.65 67.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.607 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.85 117.6 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 93.3 m -128.0 131.62 49.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.87 -162.02 0.64 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.6 -53.34 24.47 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.714 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.69 -100.24 1.31 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -111.0 104.46 13.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.663 0.268 . . . . 0.0 110.458 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.82 174.15 14.31 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.54 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.76 130.57 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.065 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.31 173.72 3.59 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -91.09 102.06 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.441 0 C-N-CA 122.639 2.226 . . . . 0.0 115.224 -175.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' G' ' 93' ' ' GLN . 25.2 mp0 -57.44 133.33 55.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.485 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.0 -91.74 0.32 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.87 -58.94 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.769 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.42 108.17 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t 53.62 95.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.377 . . . . 0.0 110.369 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 58.9 m -87.94 106.27 18.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.805 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.79 -149.39 14.89 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.14 72.82 0.41 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -48.45 168.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 110.619 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.37 48.0 1.25 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 67.09 141.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 21.9 m -104.3 -65.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.34 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.46 77.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.716 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 65.6 m -157.5 162.92 38.88 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.202 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 92.2 p -144.11 148.4 35.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.055 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.82 166.52 15.62 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.119 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 97.6 p -164.16 162.31 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.719 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 31.6 t -163.46 158.16 20.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.27 74.47 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.011 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.44 50.01 0.08 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 93' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' G' ' 73' ' ' GLN . 15.8 mp0 -97.65 118.84 35.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.66 136.03 30.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -130.57 122.47 27.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.347 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t 53.62 57.34 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.593 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.32 117.12 28.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 43.4 t -133.03 100.05 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.687 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.58 167.69 18.94 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 51.91 74.92 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.644 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 89.2 p -91.14 13.09 17.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.743 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.45 -160.62 1.05 Allowed 'General case' 0 N--CA 1.456 -0.129 0 CA-C-O 120.741 0.305 . . . . 0.0 110.524 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.15 152.85 18.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.066 0.46 . . . . 0.0 111.492 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 81.6 m -128.91 126.0 38.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.605 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.43 139.61 25.69 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.272 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.8 -41.78 9.47 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.425 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.82 172.68 12.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.941 0.401 . . . . 0.0 110.436 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 74.14 70.98 1.17 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.674 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 50' ' ' TYR . . . . . 0.511 ' HD2' ' HH ' ' H' ' 55' ' ' TYR . 67.8 m-85 25.16 72.92 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.76 91.7 0.34 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.22 93.64 0.07 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.918 0.389 . . . . 0.0 110.115 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -158.37 145.41 17.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.37 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 67.9 m -126.7 145.88 50.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.672 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 55' ' ' TYR . . . . . 0.511 ' HH ' ' HD2' ' H' ' 50' ' ' TYR . 92.9 m-85 -131.22 143.42 50.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 48.0 t -146.43 136.84 23.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.726 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -156.81 144.88 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.429 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.2 132.84 56.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.649 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.43 133.41 4.93 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.43 -174.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.854 0.359 . . . . 0.0 110.608 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.52 140.51 23.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.58 67.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.581 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.89 117.56 34.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.505 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -127.99 131.68 49.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.93 -162.02 0.65 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.58 -53.44 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.612 0.244 . . . . 0.0 110.674 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.76 -100.25 1.3 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -111.03 104.52 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.638 0.256 . . . . 0.0 110.433 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.87 174.09 14.37 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.431 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.73 130.6 26.11 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.068 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.34 173.73 3.59 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -91.05 102.11 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.604 2.203 . . . . 0.0 115.193 -175.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 73' ' ' GLN . . . . . 0.434 ' OE1' ' NE2' ' H' ' 93' ' ' GLN . 25.2 mp0 -57.51 133.36 55.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.405 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.99 -91.8 0.32 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 -58.99 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.817 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.36 108.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.62 95.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.247 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 59.5 m -87.97 106.23 17.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.809 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.77 -149.32 14.86 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 72.91 0.4 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -48.46 168.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.651 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.32 48.06 1.25 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 67.07 141.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m -104.41 -65.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.256 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.5 77.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.781 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 65.4 m -157.48 162.97 38.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.973 0.416 . . . . 0.0 111.256 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 92.7 p -144.13 148.4 35.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.84 166.51 15.59 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.125 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 97.0 p -164.08 162.29 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.678 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 31.3 t -163.48 158.27 20.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.36 74.71 0.29 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.25 50.03 0.08 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 93' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' H' ' 73' ' ' GLN . 15.8 mp0 -97.68 118.81 35.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.745 0.307 . . . . 0.0 110.933 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.69 136.1 30.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 43.7 m -130.63 122.44 27.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.382 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.69 57.38 6.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.582 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.29 117.19 28.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.472 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 43.4 t -133.07 100.27 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.671 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.73 167.69 19.1 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 51.79 74.82 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.972 0.415 . . . . 0.0 110.694 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 89.4 p -91.09 13.05 17.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.28 -160.69 1.06 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.641 0.258 . . . . 0.0 110.562 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.22 152.67 18.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.036 0.446 . . . . 0.0 111.507 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 75.4 m -128.85 126.23 39.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.642 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.58 140.41 26.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -94.74 -42.29 8.82 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.496 -0.481 . . . . 0.0 111.19 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.52 172.79 12.43 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.585 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 49' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 74.27 70.88 1.18 Allowed Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.711 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 50' ' ' TYR . . . . . 0.508 ' HD2' ' HH ' ' I' ' 55' ' ' TYR . 66.7 m-85 25.15 74.15 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.8 91.65 0.43 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.28 92.97 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.823 0.344 . . . . 0.0 110.089 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -157.78 145.51 18.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.438 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -126.71 145.86 50.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 55' ' ' TYR . . . . . 0.508 ' HH ' ' HD2' ' I' ' 50' ' ' TYR . 92.9 m-85 -131.22 143.54 50.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.375 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.54 136.77 23.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.712 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -156.8 144.84 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.41 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.24 132.9 56.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.44 133.45 4.95 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.35 -174.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.608 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 47.3 t -148.52 140.42 23.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.484 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -170.45 67.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.541 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -104.04 117.61 34.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.525 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 94.0 m -127.89 131.89 49.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.22 -161.87 0.73 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.79 -53.35 25.72 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.83 -100.32 1.31 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 29.5 p -110.92 104.37 12.96 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.82 174.03 14.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.047 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.65 130.93 26.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.912 0.387 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 8.3 p -69.08 174.27 2.96 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -91.01 102.69 0.26 Allowed 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.617 2.211 . . . . 0.0 114.961 -176.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 73' ' ' GLN . . . . . 0.433 ' OE1' ' NE2' ' I' ' 93' ' ' GLN . 25.2 mp0 -58.02 133.71 55.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.14 -91.66 0.32 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.44 -59.24 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.038 0.447 . . . . 0.0 110.734 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.7 108.51 0.01 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.52 95.71 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.858 0.361 . . . . 0.0 110.365 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 60.6 m -87.6 105.75 17.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.815 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.38 -149.11 15.12 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.08 73.21 0.37 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -48.77 168.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.144 0.497 . . . . 0.0 110.512 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.28 48.27 1.24 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.9 t 66.86 141.75 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.957 0.408 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 22.6 m -104.52 -65.57 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.295 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.38 77.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 65.7 m -157.48 162.84 38.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 111.21 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 92.2 p -143.99 148.42 35.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.133 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.95 166.24 15.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.131 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -163.79 162.2 23.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -163.41 158.14 20.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.018 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -164.4 76.47 0.33 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.07 50.03 0.07 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 93' ' ' GLN . . . . . 0.433 ' NE2' ' OE1' ' I' ' 73' ' ' GLN . 15.8 mp0 -97.65 118.7 34.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.84 0.353 . . . . 0.0 110.881 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.66 136.12 30.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 42.3 m -130.66 122.43 27.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.4 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.69 57.33 6.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.462 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.549 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -107.56 96.52 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.555 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.9 t -73.56 141.95 46.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.55 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.08 -105.39 2.01 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.36 128.29 55.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.506 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.5 m -133.61 153.05 51.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.547 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -110.99 -167.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.641 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.02 160.34 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.758 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -127.02 129.47 48.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.683 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -125.61 146.62 49.62 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.58 -53.25 2.11 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.308 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -135.52 130.2 34.25 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.8 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.81 75.52 0.84 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.378 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 32.05 70.38 0.1 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.63 96.2 0.49 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 68.43 84.22 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.879 0.371 . . . . 0.0 110.258 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -160.93 144.21 13.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.469 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -142.92 125.84 16.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.535 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -63.19 -46.92 84.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.538 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.34 42.02 13.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.787 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.23 127.14 54.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.392 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -62.61 -39.6 94.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.621 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.8 10.09 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -155.37 131.91 10.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 110.399 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.6 m -130.65 148.07 52.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 49.49 63.47 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.629 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -89.96 113.35 24.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -117.03 130.64 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.535 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.63 -162.2 0.92 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -61.68 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 111.034 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.1 -96.57 0.71 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.2 p -117.43 109.13 16.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.111 0.482 . . . . 0.0 110.303 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -151.55 137.41 18.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.761 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -108.91 133.22 53.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.995 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.3 p -72.82 165.23 54.15 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.747 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.4 ' N ' ' OG1' ' B' ' 71' ' ' THR . 40.8 Cg_endo -90.11 105.97 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.77 2.313 . . . . 0.0 114.268 -176.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -57.15 139.69 51.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.281 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.89 87.41 1.14 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 60.91 81.95 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.238 0.542 . . . . 0.0 111.316 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.42 -88.51 0.01 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.5 p -138.24 132.13 31.29 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.405 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.04 96.65 2.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.03 102.55 0.13 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.57 94.26 0.09 OUTLIER Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -80.72 -72.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.034 0.445 . . . . 0.0 110.416 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.68 -58.33 2.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -160.39 137.46 9.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.3 t -139.57 98.13 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.298 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.88 104.3 9.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -146.85 163.67 35.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 111.211 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.68 150.59 48.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.263 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.75 1.77 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.029 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -170.46 158.37 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.485 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.3 m -163.38 173.71 12.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.5 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.37 78.65 0.07 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.392 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.1 49.77 0.12 Allowed Glycine 0 CA--C 1.528 0.85 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.628 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -98.03 113.36 25.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.706 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -131.22 126.44 35.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.54 107.93 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.41 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.15 25.96 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.657 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -107.61 96.56 6.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.542 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 41.8 t -73.62 142.04 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.07 -105.33 2.0 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -111.24 128.5 55.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.794 0.33 . . . . 0.0 110.476 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 42.3 m -133.76 153.04 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.612 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.89 -167.2 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.657 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 87.1 p -73.2 160.33 32.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.6 m -127.06 129.26 47.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.709 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -125.25 146.3 49.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.84 -53.19 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.204 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -135.12 130.71 35.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.94 77.96 1.02 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.059 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 29.58 71.0 0.07 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.09 96.24 0.53 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 68.59 83.95 0.15 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.885 0.374 . . . . 0.0 110.213 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -160.78 144.19 13.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -143.03 125.85 16.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.458 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.24 -46.92 84.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.522 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.37 41.94 13.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.801 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.14 126.75 53.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -62.32 -39.54 93.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.684 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.81 132.83 10.1 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.33 131.98 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.702 0.287 . . . . 0.0 110.396 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 62.2 m -130.76 148.02 52.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.649 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.53 63.48 2.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -90.13 113.39 25.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.682 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -116.82 130.67 56.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.604 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.9 -162.14 1.01 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -61.79 1.86 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.698 0.285 . . . . 0.0 110.945 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.4 -96.79 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.32 109.05 16.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.794 0.331 . . . . 0.0 110.199 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -151.5 136.61 17.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 74.5 m -107.92 133.13 52.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.418 ' C ' ' OG1' ' C' ' 71' ' ' THR . 29.9 p -73.2 166.1 46.75 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.551 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.405 ' N ' ' OG1' ' C' ' 71' ' ' THR . 39.6 Cg_endo -90.77 104.29 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 122.967 2.445 . . . . 0.0 114.863 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.36 139.64 42.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.522 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.94 87.44 1.15 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 61.32 82.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 111.213 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.53 -88.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 38.1 p -138.08 132.18 31.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 0.0 110.315 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.87 96.13 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.091 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.92 102.91 0.13 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.69 94.09 0.09 OUTLIER Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.14 -72.09 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 110.434 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.69 -58.24 2.3 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.31 137.55 9.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 110.679 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.63 98.12 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.347 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -120.81 103.44 9.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.523 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.98 163.96 33.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.299 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 92.8 p -136.76 150.47 48.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.249 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.77 176.79 1.8 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 111.118 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 94.0 p -170.49 158.25 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 58.4 m -163.21 173.74 13.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.702 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.52 80.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.234 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.08 49.91 0.1 Allowed Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.599 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.08 113.23 25.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.816 0.341 . . . . 0.0 110.754 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -131.22 126.46 35.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.774 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.46 107.92 11.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.47 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.19 25.86 10.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.733 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.601 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -107.6 96.41 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.55 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 42.1 t -73.5 142.04 46.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.55 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.09 -105.42 2.01 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -111.27 128.49 55.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.471 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 42.5 m -133.68 152.96 52.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.551 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.89 -167.21 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.15 160.27 32.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.0 129.29 47.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.662 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.31 146.25 49.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.387 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.78 -53.28 2.08 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.287 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -135.13 130.85 36.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.709 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.8 78.15 1.04 Allowed Glycine 0 C--O 1.222 -0.633 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.041 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 29.29 71.06 0.06 Allowed 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.02 96.27 0.52 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.52 83.96 0.15 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.932 0.396 . . . . 0.0 110.232 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -160.78 144.12 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.548 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -142.94 125.83 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.481 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.14 -46.94 84.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.515 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 59.3 m 47.36 42.0 13.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.731 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.22 126.72 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -62.21 -39.64 93.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.715 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.71 132.8 10.11 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.31 131.99 10.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.765 0.316 . . . . 0.0 110.449 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 61.3 m -130.62 147.98 52.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.734 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.59 63.51 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.614 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -90.3 113.37 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.584 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.5 m -116.87 130.76 56.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.9 -162.17 1.01 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -61.83 1.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 110.929 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.47 -96.83 0.71 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.27 109.02 16.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.793 0.33 . . . . 0.0 110.31 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -151.38 136.72 17.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.796 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 74.1 m -108.12 133.02 52.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.915 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.418 ' OG1' ' C ' ' B' ' 71' ' ' THR . 29.9 p -73.18 166.16 46.21 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.537 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 72' ' ' PRO . . . . . 0.405 ' N ' ' OG1' ' D' ' 71' ' ' THR . 38.6 Cg_endo -90.72 104.04 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 123.009 2.472 . . . . 0.0 114.972 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.13 139.59 41.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.523 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.09 87.48 1.16 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.24 82.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.954 0.407 . . . . 0.0 111.147 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.58 -88.38 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 37.5 p -138.02 132.17 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.236 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.9 96.24 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.093 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.97 103.01 0.14 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.71 94.05 0.09 OUTLIER Glycine 0 CA--C 1.519 0.33 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -81.18 -72.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.67 -58.26 2.29 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -160.4 137.42 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.697 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.53 98.14 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.384 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.86 103.31 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.82 163.99 33.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.225 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 92.7 p -136.78 150.44 48.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.228 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.75 176.76 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.082 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.5 p -170.43 158.28 6.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.427 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.3 173.69 12.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.752 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.51 80.62 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.202 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.32 50.08 0.1 Allowed Glycine 0 CA--C 1.527 0.823 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.473 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.16 113.19 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.705 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.22 126.48 35.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 107.95 11.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.402 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.2 25.9 10.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.649 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.525 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -107.62 96.49 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.524 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 42.0 t -73.6 142.08 46.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.512 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.11 -105.32 2.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.22 128.51 55.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 0.0 110.536 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 42.7 m -133.74 153.08 51.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.503 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.9 -167.18 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.07 160.4 32.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.028 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -127.19 129.13 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -125.17 146.16 49.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.79 -53.27 2.08 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -135.07 131.03 36.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.821 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.75 78.08 1.04 Allowed Glycine 0 C--O 1.222 -0.642 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.018 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 50' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' E' ' 49' ' ' GLY . 10.7 m-85 29.21 71.24 0.06 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.06 96.22 0.53 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.61 84.02 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.872 0.368 . . . . 0.0 110.2 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.87 143.98 13.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.639 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -142.86 125.81 16.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -63.15 -47.06 84.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.461 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m 47.49 42.01 13.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.766 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.29 126.59 53.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -62.11 -39.59 93.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.783 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.77 132.75 10.06 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.21 132.05 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.7 0.286 . . . . 0.0 110.439 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 61.6 m -130.72 147.93 52.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.749 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 49.52 63.56 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.958 0.409 . . . . 0.0 110.578 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -90.19 113.43 25.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.634 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.7 m -117.05 130.59 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.61 -162.06 0.89 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -61.48 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.609 0.242 . . . . 0.0 110.973 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.16 -96.81 0.72 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.25 108.93 16.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.773 0.32 . . . . 0.0 110.366 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -151.45 136.69 17.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.807 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 74.5 m -107.98 133.1 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.963 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 71' ' ' THR . . . . . 0.42 ' C ' ' OG1' ' E' ' 71' ' ' THR . 30.0 p -73.28 166.2 45.96 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 72' ' ' PRO . . . . . 0.417 ' HB3' ' C ' ' E' ' 72' ' ' PRO . 38.4 Cg_endo -90.83 104.09 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 123.032 2.488 . . . . 0.0 114.986 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.2 139.57 41.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.578 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.01 87.46 1.15 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 61.15 82.23 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.98 0.419 . . . . 0.0 111.204 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.55 -88.32 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 39.4 p -138.03 132.31 32.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.31 . . . . 0.0 110.255 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.04 96.04 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.377 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.67 102.86 0.13 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.75 94.03 0.09 OUTLIER Glycine 0 CA--C 1.519 0.305 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.02 -72.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.6 -58.16 2.32 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.43 137.55 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.659 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.63 98.09 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.364 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.81 103.38 9.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.86 163.93 33.54 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.238 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 92.9 p -136.79 150.49 48.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.79 176.73 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 0.0 111.064 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -170.39 158.36 6.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.401 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.36 173.53 13.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.652 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.49 80.68 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.17 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.26 50.02 0.1 Allowed Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.597 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.1 113.11 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 110.763 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.16 126.44 35.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.692 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.47 107.84 11.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.49 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.25 25.85 10.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.76 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -107.6 96.31 6.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.662 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 42.0 t -73.43 141.92 46.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.05 -105.29 2.0 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.25 128.58 55.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.526 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 43.4 m -133.85 153.02 52.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -110.86 -167.21 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.663 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.09 160.33 32.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.5 m -127.17 129.32 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.665 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -125.12 146.3 49.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.58 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 47' ' ' THR . . . . . 0.414 HG22 ' N ' ' E' ' 48' ' ' SER . 1.1 m -121.76 -51.21 2.04 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 119.38 -0.928 . . . . 0.0 112.157 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 48' ' ' SER . . . . . 0.414 ' N ' HG22 ' E' ' 47' ' ' THR . 40.4 t -131.28 128.83 40.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.234 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.72 71.95 0.63 Allowed Glycine 0 C--O 1.216 -0.993 0 C-N-CA 118.104 -1.998 . . . . 0.0 113.212 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 50' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' E' ' 49' ' ' GLY . 11.6 m-85 29.09 75.63 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.266 0.555 . . . . 0.0 111.213 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.49 93.88 0.55 Allowed Glycine 0 CA--C 1.518 0.225 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 69.38 84.23 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.987 0.423 . . . . 0.0 110.198 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -160.89 144.14 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.5 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.87 125.89 16.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.546 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -63.14 -46.98 84.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.569 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 57.5 m 47.34 41.95 13.14 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.16 126.66 53.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.922 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -62.18 -39.63 93.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.638 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.82 132.75 10.06 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.22 132.08 10.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.758 0.313 . . . . 0.0 110.378 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 62.3 m -130.82 148.04 52.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.27 63.94 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.611 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -90.5 113.74 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.578 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -117.09 130.68 56.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.432 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.59 -162.26 0.91 Allowed Glycine 0 CA--C 1.524 0.637 0 O-C-N 124.017 0.823 . . . . 0.0 111.131 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.89 -61.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.592 0.234 . . . . 0.0 111.035 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.22 -97.03 0.72 Allowed Glycine 0 N--CA 1.464 0.537 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.08 108.88 16.26 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -151.28 137.38 18.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 0.0 110.787 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 72.9 m -108.78 133.75 52.42 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.668 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 71' ' ' THR . . . . . 0.422 ' C ' ' OG1' ' F' ' 71' ' ' THR . 30.2 p -73.5 166.26 45.59 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.585 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 72' ' ' PRO . . . . . 0.417 ' C ' ' HB3' ' D' ' 72' ' ' PRO . 42.4 Cg_endo -91.91 108.03 0.25 Allowed 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 121.869 1.713 . . . . 0.0 113.899 -176.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -57.63 140.04 52.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.297 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.82 87.31 1.14 Allowed Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 62.1 80.42 0.23 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.453 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.62 -90.27 0.01 OUTLIER Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 42.1 p -136.93 132.63 34.71 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.018 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.4 99.03 2.87 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.742 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.26 105.84 0.55 Allowed Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.87 97.31 0.21 Allowed Glycine 0 C--N 1.335 0.503 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -82.12 -73.4 0.39 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.07 0.462 . . . . 0.0 110.462 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.14 -58.13 2.38 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.3 137.58 9.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.67 0.272 . . . . 0.0 110.615 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 32.9 t -139.5 97.22 3.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.72 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.12 102.46 8.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.0 110.64 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.76 163.39 35.11 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.007 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 92.8 p -136.64 150.44 48.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.278 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.8 1.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.109 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -169.88 158.51 7.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.469 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -162.83 174.12 12.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.851 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.28 79.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.455 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.74 49.46 0.11 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.606 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -96.32 112.82 24.43 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 122.856 -0.203 . . . . 0.0 111.136 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.07 126.6 36.26 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.799 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.37 108.05 11.78 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.527 0.517 . . . . 0.0 110.089 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.2 25.93 10.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.831 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.68 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -107.63 96.46 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.61 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 42.2 t -73.52 142.08 46.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.572 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.09 -105.28 2.0 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.37 128.53 56.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 110.539 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 42.8 m -133.7 153.04 51.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.92 -167.23 1.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.04 160.32 32.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -127.09 129.28 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.625 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.24 146.16 49.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.8 -53.36 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.183 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -135.07 130.61 35.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.801 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 108.98 78.48 1.06 Allowed Glycine 0 C--O 1.222 -0.615 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.925 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' F' ' 49' ' ' GLY . 10.4 m-85 29.05 71.18 0.06 Allowed 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.16 96.17 0.53 Allowed Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.65 83.91 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.86 0.362 . . . . 0.0 110.192 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -160.85 144.11 13.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.604 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.89 125.81 16.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.592 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -63.23 -46.91 84.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.481 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.33 42.06 13.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 77.5 p -109.3 126.64 53.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -62.09 -39.67 93.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.731 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.73 132.78 10.09 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.27 132.12 10.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.32 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -130.84 147.97 52.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.626 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.57 63.46 2.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.679 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -90.19 113.47 25.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.593 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.9 130.83 56.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.427 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.02 -161.97 1.02 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.94 -61.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.621 0.248 . . . . 0.0 110.908 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.42 -96.87 0.71 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.14 109.13 16.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -151.46 136.7 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.786 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 74.7 m -108.05 133.03 52.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.028 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 71' ' ' THR . . . . . 0.422 ' OG1' ' C ' ' E' ' 71' ' ' THR . 30.0 p -73.21 166.13 46.46 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 72' ' ' PRO . . . . . 0.409 ' C ' ' HB3' ' E' ' 72' ' ' PRO . 38.9 Cg_endo -90.75 104.01 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 123.017 2.478 . . . . 0.0 114.978 -175.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.08 139.48 41.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.561 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.07 87.58 1.16 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.4 81.94 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.874 0.369 . . . . 0.0 111.154 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.46 -88.37 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 38.1 p -138.03 132.2 31.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.213 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.85 96.13 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.063 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.93 102.93 0.14 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.65 94.02 0.09 OUTLIER Glycine 0 CA--C 1.518 0.274 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -81.0 -72.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.467 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.66 -58.17 2.31 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 47.8 t -160.43 137.42 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.662 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.59 98.19 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.324 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.81 103.36 9.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.494 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.92 163.96 33.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.922 0.391 . . . . 0.0 111.176 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 93.0 p -136.77 150.54 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.307 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.81 176.72 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -170.43 158.27 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.469 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.28 173.71 12.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.789 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.43 80.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.26 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.2 49.97 0.1 Allowed Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.633 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.04 113.14 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.735 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.17 126.48 35.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.748 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.48 107.88 11.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.15 25.95 10.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.676 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -107.58 96.5 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.553 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 41.9 t -73.56 142.03 46.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.53 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.01 -105.38 2.0 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -111.22 128.46 55.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.735 0.303 . . . . 0.0 110.554 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 43.0 m -133.75 153.03 52.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.513 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.9 -167.22 1.15 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.62 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.08 160.37 32.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.17 129.24 47.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -125.24 146.29 49.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.413 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.88 -53.34 2.07 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -135.03 130.86 36.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.845 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 108.81 78.13 1.04 Allowed Glycine 0 C--O 1.223 -0.585 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.033 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' G' ' 49' ' ' GLY . 10.5 m-85 29.45 71.06 0.07 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.1 96.23 0.53 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.61 83.86 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.39 . . . . 0.0 110.258 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.76 144.14 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.92 125.82 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -63.27 -46.91 84.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.461 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m 47.3 42.04 13.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.22 126.69 53.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -62.15 -39.61 93.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.729 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.76 132.77 10.08 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -155.3 132.07 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.726 0.298 . . . . 0.0 110.411 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 62.2 m -130.73 147.99 52.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.56 63.42 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.659 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -90.11 113.4 25.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.86 130.72 56.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -162.09 0.99 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -61.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.609 0.242 . . . . 0.0 110.927 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.43 -96.84 0.71 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.17 108.96 16.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.752 0.31 . . . . 0.0 110.258 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -151.47 136.71 17.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.758 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 74.3 m -108.13 133.09 52.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 71' ' ' THR . . . . . 0.419 ' OG1' ' C ' ' F' ' 71' ' ' THR . 30.2 p -73.29 166.25 45.51 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.484 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 72' ' ' PRO . . . . . 0.408 ' HB3' ' C ' ' H' ' 72' ' ' PRO . 38.5 Cg_endo -90.75 103.92 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 123.039 2.493 . . . . 0.0 115.001 -175.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.0 139.53 40.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.569 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.02 87.38 1.16 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.3 82.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 111.179 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.56 -88.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 40.3 p -138.21 132.23 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.174 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.86 96.19 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.94 103.01 0.14 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.7 94.1 0.09 OUTLIER Glycine 0 CA--C 1.519 0.326 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -81.19 -72.1 0.44 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.442 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.63 -58.24 2.3 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -160.41 137.47 9.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.627 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.57 98.11 3.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.331 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.77 103.36 9.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.91 163.95 33.53 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.266 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.74 150.56 48.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.236 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.74 1.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.101 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -170.39 158.3 6.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.484 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.29 173.63 13.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.827 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.5 80.69 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.202 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.34 50.14 0.1 Allowed Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.551 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.2 113.15 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.849 0.357 . . . . 0.0 110.715 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.19 126.47 35.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.764 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.55 107.9 11.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.388 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.28 25.78 10.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.723 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.62 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -107.56 96.52 6.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 41.9 t -73.53 142.07 46.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.0 -105.46 2.0 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.14 128.56 55.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.695 0.283 . . . . 0.0 110.535 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 42.7 m -133.75 153.06 51.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.94 -167.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.598 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 87.1 p -73.13 160.37 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.14 129.2 47.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.24 146.24 49.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.422 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.88 -53.26 2.07 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.202 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -135.07 130.8 36.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.763 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 108.9 78.07 1.03 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.038 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' H' ' 49' ' ' GLY . 10.5 m-85 29.36 71.09 0.06 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.09 96.28 0.53 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.58 83.96 0.15 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 110.265 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.84 144.08 13.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.593 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.5 t -142.86 125.84 16.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.563 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.18 -46.96 84.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.503 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 58.4 m 47.35 41.99 13.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.794 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.21 126.7 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.906 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -62.22 -39.63 93.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.658 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.79 10.09 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -155.36 132.06 10.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.307 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 62.1 m -130.76 147.99 52.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.61 63.45 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -90.24 113.43 25.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.652 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.85 130.79 56.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.93 -162.02 1.0 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.93 -61.85 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.568 0.223 . . . . 0.0 110.92 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.48 -96.88 0.71 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.15 108.97 16.33 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -151.42 136.84 17.7 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.779 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 74.2 m -108.19 133.14 52.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 71' ' ' THR . . . . . 0.417 ' OG1' ' C ' ' G' ' 71' ' ' THR . 30.1 p -73.27 166.17 46.19 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.534 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 72' ' ' PRO . . . . . 0.408 ' C ' ' HB3' ' G' ' 72' ' ' PRO . 39.6 Cg_endo -90.68 103.95 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.997 2.465 . . . . 0.0 114.95 -175.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.01 139.6 40.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.607 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.99 87.48 1.15 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.38 82.14 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.54 -88.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 39.4 p -138.1 132.2 31.69 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.224 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.88 96.12 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.057 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.84 103.01 0.14 Allowed Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.72 94.07 0.09 OUTLIER Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.18 -72.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.69 -58.12 2.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.43 137.47 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.796 0.332 . . . . 0.0 110.647 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 33.0 t -139.62 98.16 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.362 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.83 103.25 8.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.8 163.95 33.41 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.263 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.8 150.51 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.217 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.85 176.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.104 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 93.8 p -170.4 158.28 6.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.464 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 58.6 m -163.28 173.59 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.51 80.96 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.182 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.46 50.03 0.1 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.582 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.05 113.14 24.92 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.719 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.15 126.5 35.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.753 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 107.88 11.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.2 25.95 10.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.708 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.574 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -107.6 96.46 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 41.6 t -73.63 142.02 46.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.477 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.87 -105.39 1.97 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -111.14 128.69 55.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.716 0.294 . . . . 0.0 110.511 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 43.6 m -133.84 153.07 52.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.481 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -110.79 -167.37 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.633 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 86.7 p -72.99 160.36 32.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -127.2 129.12 47.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.66 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -125.4 145.4 50.07 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.513 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -120.36 -53.85 2.11 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.162 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -134.45 131.07 37.68 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.796 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 108.81 78.19 1.04 Allowed Glycine 0 C--O 1.223 -0.569 0 C-N-CA 120.355 -0.926 . . . . 0.0 111.938 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' I' ' 49' ' ' GLY . 10.5 m-85 29.09 72.82 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.42 96.18 0.63 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 68.52 83.56 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.886 0.374 . . . . 0.0 110.277 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -160.41 144.17 13.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.573 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.95 125.83 16.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.502 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.18 -46.98 84.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 58.3 m 47.45 41.89 13.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.791 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.19 126.76 53.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.393 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -62.26 -39.57 93.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.643 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.71 10.04 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.29 132.08 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.312 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 61.4 m -130.73 148.0 52.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.631 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.55 63.43 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.668 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -90.18 113.4 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.66 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -116.71 130.81 56.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.01 -161.94 1.01 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.07 -61.65 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.887 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.34 -96.95 0.72 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 46.2 p -117.05 108.79 16.17 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -151.23 136.81 17.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.58 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 74.8 m -108.02 133.08 52.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 71' ' ' THR . . . . . 0.404 ' OG1' ' C ' ' H' ' 71' ' ' THR . 30.8 p -72.47 167.29 34.2 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -91.09 104.76 0.27 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.978 2.452 . . . . 0.0 114.813 -177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -55.66 139.96 42.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.565 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.17 87.49 1.17 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.57 82.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.287 -0.165 . . . . 0.0 110.961 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.58 -88.1 0.01 OUTLIER Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 39.2 p -137.98 132.17 31.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.81 96.18 2.42 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.027 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.14 103.25 0.16 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.62 94.66 0.09 OUTLIER Glycine 0 CA--C 1.521 0.412 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -82.51 -71.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.264 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.64 -58.09 2.33 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 48.1 t -160.43 137.54 9.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.713 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.66 98.1 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.385 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.79 103.27 8.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.42 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.84 163.6 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.2 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 92.6 p -136.43 150.42 48.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.273 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.88 176.35 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.087 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -169.98 158.45 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.517 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 58.6 m -163.38 173.12 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.905 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.18 82.85 0.08 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.69 50.04 0.09 OUTLIER Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.608 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -98.08 113.07 24.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.27 126.46 35.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.5 107.93 11.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.447 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.21 25.91 10.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.671 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.626 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 53.34 89.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.677 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -136.09 123.87 22.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.59 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.67 136.23 13.03 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.8 -166.43 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.555 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.5 p -69.85 159.01 34.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.692 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -177.54 86.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.696 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.6 p -69.8 157.37 37.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.294 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.2 m -129.16 122.63 30.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.817 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -150.59 125.72 9.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.6 m -50.1 -60.9 2.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.26 0.552 . . . . 0.0 110.016 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -131.55 -95.82 0.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.091 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.31 51.74 20.19 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.659 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.433 ' OH ' ' ND2' ' B' ' 63' ' ' ASN . 0.2 OUTLIER 48.96 -168.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.455 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.56 -53.0 1.36 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -164.06 -81.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.657 0.265 . . . . 0.0 110.438 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -130.19 126.91 38.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.894 0.378 . . . . 0.0 110.682 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.1 p -103.26 148.81 25.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.245 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -121.21 138.82 54.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.9 m -155.56 141.27 17.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.473 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.7 p -156.65 148.89 23.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.7 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.27 177.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.904 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.35 153.72 25.29 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.88 -40.18 92.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.7 m -91.8 178.75 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.558 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.88 -177.65 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.638 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -58.29 119.69 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.697 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.5 m -126.93 139.21 53.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.438 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.1 -161.86 0.1 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.31 -49.38 44.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.61 -99.85 1.35 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.02 110.91 19.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 0.0 110.219 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.45 7.95 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.802 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.8 m -125.4 120.87 32.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.947 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.406 HG22 ' HD2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -85.99 171.75 9.84 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.767 -179.328 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.406 ' HD2' HG22 ' A' ' 71' ' ' THR . 73.4 Cg_exo -42.96 169.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 123.187 2.591 . . . . 0.0 113.584 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -98.97 -158.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.498 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.68 91.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -177.63 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.727 0.298 . . . . 0.0 110.889 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.05 -173.07 3.05 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.61 86.85 4.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.727 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.402 ' OG1' HG22 ' B' ' 78' ' ' THR . 43.0 p -67.42 158.36 31.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.004 0.43 . . . . 0.0 109.992 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.71 -158.61 4.4 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.74 -80.3 1.42 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -54.08 174.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.853 0.358 . . . . 0.0 110.714 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.69 -36.89 3.29 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 t 73.18 131.11 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.85 0.357 . . . . 0.0 110.687 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.1 t -117.39 122.57 44.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.475 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.87 104.59 7.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.436 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.01 174.3 10.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.104 0.478 . . . . 0.0 111.222 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.46 138.22 23.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.924 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.92 -166.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.558 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -165.32 169.61 15.62 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.334 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.67 118.3 22.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.061 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -130.81 101.61 5.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.754 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.64 53.56 0.63 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.49 110.79 23.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.66 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.44 132.44 27.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.834 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.6 m -127.65 128.03 44.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.298 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.3 79.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.593 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 53.35 89.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.656 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -136.13 123.84 22.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.655 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.61 136.24 13.05 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.8 -165.97 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.314 . . . . 0.0 110.488 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 82.4 p -70.15 159.02 34.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.706 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -177.62 86.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.683 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -69.9 157.48 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.317 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.3 m -129.26 122.81 30.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -150.75 125.76 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.471 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.37 -61.25 2.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.029 0.443 . . . . 0.0 109.872 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -131.31 -95.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.03 53.86 13.54 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.475 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.431 ' OH ' ' ND2' ' C' ' 63' ' ' ASN . 0.2 OUTLIER 46.82 -168.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 0.0 110.748 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.91 -53.01 1.32 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.21 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.605 0.24 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 69.6 m -130.0 127.03 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 98.3 p -103.26 148.74 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.286 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -121.21 138.8 54.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 70.0 m -155.53 141.33 18.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.517 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 94.1 p -156.69 148.81 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.709 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.35 177.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.37 153.23 24.47 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.41 -40.15 89.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.571 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -91.79 178.94 5.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.49 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -152.07 -177.71 6.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.626 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.433 ' ND2' ' OH ' ' A' ' 50' ' ' TYR . 38.4 t30 -58.24 119.68 7.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.723 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 91.7 m -126.8 139.34 53.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.429 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.3 -161.77 0.11 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.5 -49.4 45.91 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.674 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.66 -100.06 1.37 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.55 110.85 19.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 110.175 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.53 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.906 -0.718 . . . . 0.0 111.722 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -125.44 120.84 32.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.857 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.405 HG22 ' HD2' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -85.66 171.93 9.65 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.596 -179.324 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.405 ' HD2' HG22 ' B' ' 71' ' ' THR . 69.1 Cg_exo -42.72 170.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 123.258 2.638 . . . . 0.0 113.404 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -100.86 -158.8 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.0 91.83 0.01 OUTLIER Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -176.99 -41.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.772 0.32 . . . . 0.0 110.725 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.82 -173.05 3.75 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -95.54 86.81 4.55 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.61 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.408 ' OG1' HG22 ' C' ' 78' ' ' THR . 43.4 p -66.99 158.63 30.44 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.025 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.18 -158.27 4.65 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.6 -80.1 1.41 Allowed Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -54.37 174.07 0.07 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.93 0.395 . . . . 0.0 110.898 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.17 -37.47 3.27 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.85 130.93 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.852 0.358 . . . . 0.0 110.628 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 44.3 t -117.18 122.68 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.85 103.37 6.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.646 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.77 174.54 10.47 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.414 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.41 138.06 23.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.889 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.65 -166.22 0.24 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.702 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -165.36 169.61 15.56 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.509 -0.477 . . . . 0.0 111.28 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.59 118.18 22.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.067 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -131.14 102.06 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.33 54.24 0.62 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -96.64 110.67 23.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.802 0.334 . . . . 0.0 110.674 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.43 132.49 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 66.5 m -127.62 128.13 45.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.361 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.2 79.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.565 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.45 89.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.621 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 44.1 t -136.15 123.78 22.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.677 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.56 136.28 13.09 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.76 -165.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 0.0 110.458 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 82.5 p -70.29 158.98 34.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.74 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -177.52 86.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.706 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 82.7 p -69.81 157.42 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.313 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -129.32 122.81 30.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.802 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -150.71 125.82 9.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.481 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.43 -61.31 2.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 109.888 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -131.28 -95.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.12 53.81 13.98 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.426 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' TYR . . . . . 0.432 ' OH ' ' ND2' ' D' ' 63' ' ' ASN . 0.2 OUTLIER 46.86 -168.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.853 0.358 . . . . 0.0 110.819 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.91 -52.98 1.33 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.29 -81.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.618 0.247 . . . . 0.0 110.437 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 70.0 m -130.02 126.93 38.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.954 0.407 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.16 148.72 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.334 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -121.19 138.87 54.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.91 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 69.7 m -155.61 141.33 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.48 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 93.8 p -156.72 148.78 22.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.756 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.26 177.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.27 153.21 24.28 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.33 -40.24 89.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.563 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 66.3 m -91.79 178.88 5.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -152.01 -177.63 6.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.638 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 63' ' ' ASN . . . . . 0.431 ' ND2' ' OH ' ' B' ' 50' ' ' TYR . 38.5 t30 -58.35 119.77 7.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -126.85 139.49 53.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.431 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.39 -161.7 0.11 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.53 -49.43 46.09 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.67 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.7 -100.05 1.36 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.59 110.87 19.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.27 171.55 7.86 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.813 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 71.0 m -125.39 120.75 31.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.875 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.406 HG22 ' HD2' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -85.6 171.9 9.73 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.619 -179.386 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 72' ' ' PRO . . . . . 0.406 ' HD2' HG22 ' C' ' 71' ' ' THR . 69.2 Cg_exo -42.63 170.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 123.299 2.666 . . . . 0.0 113.398 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.03 -158.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.92 91.89 0.01 OUTLIER Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -176.96 -41.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.92 -173.11 3.82 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.58 86.73 4.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.666 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.408 HG22 ' OG1' ' B' ' 78' ' ' THR . 43.5 p -66.97 158.75 30.09 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.18 -158.26 4.64 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.67 -80.07 1.41 Allowed Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -54.47 174.02 0.07 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.761 0.315 . . . . 0.0 110.994 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.19 -37.48 3.27 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.97 130.96 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.588 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.29 122.52 44.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.72 103.42 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.705 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.8 174.59 10.42 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.4 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.34 138.05 23.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.993 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.68 -166.23 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.68 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.6 p -165.32 169.48 15.77 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.346 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.44 118.22 22.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.114 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -131.18 102.16 5.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.13 54.42 0.62 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.72 110.76 23.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.45 132.47 27.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 66.1 m -127.63 128.05 44.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.23 79.78 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.633 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.579 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.51 89.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -136.22 123.78 22.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.655 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.51 136.17 13.01 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.74 -165.78 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.735 0.303 . . . . 0.0 110.463 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 82.0 p -70.28 159.06 34.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -177.67 86.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 82.7 p -69.94 157.61 37.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.409 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 98.3 m -129.5 122.51 29.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.097 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -150.45 125.64 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.472 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 19.4 m -50.43 -60.95 2.49 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 9.7 t -131.45 -95.62 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.12 53.93 13.67 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.509 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 50' ' ' TYR . . . . . 0.428 ' OH ' ' ND2' ' E' ' 63' ' ' ASN . 0.2 OUTLIER 46.82 -168.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.649 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.95 -52.88 1.33 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.3 -81.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -129.97 126.94 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.17 148.79 25.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.343 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -121.26 138.82 54.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.874 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 69.6 m -155.53 141.33 18.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.505 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 93.5 p -156.69 148.82 23.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.736 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.22 177.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.45 153.17 24.5 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.3 -40.26 89.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 110.511 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 66.2 m -91.94 178.77 5.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.489 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.85 -177.6 6.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 63' ' ' ASN . . . . . 0.432 ' ND2' ' OH ' ' C' ' 50' ' ' TYR . 38.6 t30 -58.39 119.7 7.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.622 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.88 139.33 53.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.53 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -161.68 0.1 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.51 -49.31 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.729 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.49 -100.02 1.38 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.55 110.67 19.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.16 171.59 7.95 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.723 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 71.2 m -125.46 120.91 32.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.869 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 71' ' ' THR . . . . . 0.409 HG22 ' HD2' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -85.79 171.97 9.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.531 -179.262 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 72' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' D' ' 71' ' ' THR . 69.7 Cg_exo -42.69 170.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 123.203 2.602 . . . . 0.0 113.432 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.04 -158.78 0.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.98 91.73 0.01 OUTLIER Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -176.84 -41.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 110.784 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.89 -173.16 3.78 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -95.52 86.82 4.56 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.64 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 78' ' ' THR . . . . . 0.411 ' OG1' HG22 ' E' ' 78' ' ' THR . 43.3 p -66.99 158.64 30.43 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.2 4.65 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.55 -80.08 1.41 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -54.39 174.25 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.951 0.405 . . . . 0.0 110.915 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.96 -37.51 3.25 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.96 131.0 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.621 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 44.2 t -117.21 122.6 44.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.541 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.78 103.35 6.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.773 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.73 174.43 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.416 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.22 138.07 23.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.956 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.66 -166.33 0.25 Allowed 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.672 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -165.19 169.52 15.95 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.227 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.48 118.21 22.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.107 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -131.36 101.99 5.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.928 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.33 54.36 0.62 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.67 110.67 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.38 132.45 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 65.7 m -127.57 127.97 44.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.414 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.39 79.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.565 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.24 89.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.622 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 43.9 t -136.42 123.77 21.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.54 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.55 136.1 12.95 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.72 -165.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 110.568 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 81.8 p -70.2 158.92 34.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.791 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -177.53 86.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.646 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 82.9 p -69.94 157.47 37.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.386 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -129.26 122.42 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -150.06 126.7 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.632 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -52.6 -60.03 3.74 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.216 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -130.46 -95.01 0.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.722 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 50.59 49.37 40.16 Favored Glycine 0 C--N 1.343 0.931 0 C-N-CA 119.72 -1.229 . . . . 0.0 112.059 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 50' ' ' TYR . . . . . 0.428 ' OH ' ' ND2' ' F' ' 63' ' ' ASN . 0.2 OUTLIER 49.28 -168.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.377 0.608 . . . . 0.0 110.247 -178.844 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.54 -52.82 1.28 Allowed Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -163.9 -83.99 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -129.21 127.29 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.314 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -103.86 148.5 26.07 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.967 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.03 138.87 53.96 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.857 0.361 . . . . 0.0 110.984 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 69.2 m -155.53 141.23 17.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.652 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 94.7 p -156.69 148.82 23.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.72 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.32 177.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.36 153.24 24.48 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.45 -40.18 90.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.798 0.332 . . . . 0.0 110.492 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.86 178.87 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.9 -177.53 6.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.681 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 63' ' ' ASN . . . . . 0.428 ' ND2' ' OH ' ' D' ' 50' ' ' TYR . 38.3 t30 -58.24 119.19 6.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 92.0 m -126.53 139.25 53.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.88 -162.23 0.1 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -48.87 -50.32 35.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.669 0.271 . . . . 0.0 110.309 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.12 -100.16 1.34 Allowed Glycine 0 N--CA 1.463 0.466 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.59 110.17 18.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.7 0.286 . . . . 0.0 110.267 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -168.41 171.81 8.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.803 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 70.5 m -125.7 121.77 34.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.795 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.56 171.9 9.33 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.554 1.159 . . . . 0.0 110.162 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -43.12 171.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.501 1.963 0 C-N-CA 123.151 2.568 . . . . 0.0 113.286 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -100.83 -159.4 0.73 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.816 -1.083 . . . . 0.0 108.237 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.24 90.71 0.01 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -176.61 -40.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.623 0.249 . . . . 0.0 111.157 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.53 -173.25 3.41 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -94.97 86.01 4.52 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.158 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 78' ' ' THR . . . . . 0.411 HG22 ' OG1' ' D' ' 78' ' ' THR . 44.7 p -66.59 158.5 29.67 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -157.66 4.34 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.86 -80.43 1.42 Allowed Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -54.11 174.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.669 0.271 . . . . 0.0 111.537 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.06 -38.02 3.17 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.705 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t 74.04 131.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.026 0.441 . . . . 0.0 110.307 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 43.9 t -117.8 121.88 41.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.407 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.07 102.34 6.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.609 0.719 . . . . 0.0 111.284 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.7 173.67 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.261 -0.899 . . . . 0.0 110.981 -177.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.24 138.01 23.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.835 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.47 -166.45 0.26 Allowed 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 121.872 0.844 . . . . 0.0 110.866 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p -164.13 171.01 15.64 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.837 -1.165 . . . . 0.0 111.458 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.87 117.69 21.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.598 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -130.28 100.59 5.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.261 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 109.11 53.99 0.59 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -96.11 110.64 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.57 0.224 . . . . 0.0 110.75 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.42 132.63 28.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.818 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 66.1 m -127.56 127.94 44.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.23 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.41 79.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.638 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.579 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.34 89.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.684 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 44.2 t -136.15 123.77 22.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.624 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.66 136.46 13.22 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.89 -165.96 1.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.661 0.267 . . . . 0.0 110.704 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 82.5 p -70.23 158.95 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.749 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -177.54 86.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 82.9 p -69.85 157.44 37.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -129.2 123.0 30.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -150.83 125.92 9.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.533 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 19.9 m -50.33 -61.54 2.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.059 0.457 . . . . 0.0 109.847 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -131.15 -95.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.17 53.87 13.99 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.467 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 50' ' ' TYR . . . . . 0.43 ' OH ' ' ND2' ' G' ' 63' ' ' ASN . 0.2 OUTLIER 46.68 -168.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.94 -53.08 1.31 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.23 -81.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.634 0.254 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -130.0 126.87 38.79 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 98.7 p -103.2 148.77 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.312 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.19 138.78 54.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.89 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 69.7 m -155.54 141.29 18.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.52 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 94.2 p -156.68 148.85 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.705 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.19 177.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.29 153.24 24.36 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.36 -40.28 90.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.475 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 66.5 m -91.87 178.92 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.514 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.94 -177.6 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.732 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 63' ' ' ASN . . . . . 0.428 ' ND2' ' OH ' ' E' ' 50' ' ' TYR . 38.4 t30 -58.45 119.75 7.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.645 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.75 139.56 53.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.3 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.48 -161.57 0.11 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.42 -49.67 44.0 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.726 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.84 -100.04 1.35 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.52 110.95 20.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.27 171.73 7.74 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.934 -0.707 . . . . 0.0 111.764 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 70.8 m -125.49 120.68 31.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.949 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 71' ' ' THR . . . . . 0.407 HG22 ' HD2' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -85.55 172.01 9.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.628 -179.367 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' F' F ' 72' ' ' PRO . . . . . 0.407 ' HD2' HG22 ' F' ' 71' ' ' THR . 67.8 Cg_exo -42.77 170.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 123.301 2.667 . . . . 0.0 113.346 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -101.04 -158.88 0.7 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.94 91.82 0.01 OUTLIER Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -176.85 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.715 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.95 -173.07 3.86 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -95.64 86.8 4.52 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.704 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 78' ' ' THR . . . . . 0.41 HG22 ' OG1' ' E' ' 78' ' ' THR . 43.5 p -66.96 158.73 30.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.04 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.11 -158.23 4.56 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.69 -80.09 1.41 Allowed Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -54.5 173.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.947 0.403 . . . . 0.0 110.879 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.22 -37.37 3.28 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.85 130.89 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.699 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.19 122.69 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.86 103.3 6.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.706 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.64 174.67 10.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.448 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.39 137.98 23.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.908 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.52 -166.28 0.25 Allowed 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.746 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -165.4 169.5 15.63 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.305 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.57 118.12 22.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.157 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -130.99 102.14 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.668 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.17 54.36 0.62 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.68 110.7 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.641 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.48 132.47 27.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.755 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 66.2 m -127.58 128.03 44.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.436 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.38 79.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.656 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.579 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.39 89.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.653 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 44.1 t -136.12 123.84 22.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.59 136.35 13.14 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.81 -165.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 110.488 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 82.2 p -70.19 158.98 34.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.78 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -177.55 86.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.643 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -69.91 157.38 37.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.34 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 96.1 m -129.15 122.77 30.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -150.66 125.8 9.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.481 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.49 -61.29 2.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 109.869 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -131.26 -95.56 0.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.13 53.87 13.85 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.452 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 50' ' ' TYR . . . . . 0.429 ' OH ' ' ND2' ' H' ' 63' ' ' ASN . 0.2 OUTLIER 46.81 -168.37 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.825 0.345 . . . . 0.0 110.832 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.15 -52.98 1.3 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.22 -81.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 110.442 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -129.91 127.04 39.34 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -103.26 148.69 25.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.321 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.11 138.79 54.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 69.5 m -155.48 141.29 18.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.538 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -156.64 148.89 23.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.705 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.2 177.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.976 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.3 153.26 24.41 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.41 -40.13 89.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.517 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.94 178.86 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.511 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.9 -177.55 6.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.703 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 63' ' ' ASN . . . . . 0.43 ' ND2' ' OH ' ' F' ' 50' ' ' TYR . 38.5 t30 -58.48 119.71 7.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.78 139.42 53.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.392 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -161.76 0.11 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.38 -49.48 44.38 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.705 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.66 -100.14 1.38 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.53 110.86 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.693 0.282 . . . . 0.0 110.242 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.63 7.84 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.782 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 71.2 m -125.51 120.72 31.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.869 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 71' ' ' THR . . . . . 0.409 HG22 ' HD2' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -85.58 172.01 9.53 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.562 -179.266 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' G' G ' 72' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' G' ' 71' ' ' THR . 68.6 Cg_exo -42.8 170.8 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 123.322 2.682 . . . . 0.0 113.319 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -100.96 -158.88 0.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.82 91.75 0.01 OUTLIER Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -176.89 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.806 0.336 . . . . 0.0 110.804 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.93 -173.09 3.84 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.5 86.72 4.55 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.673 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 78' ' ' THR . . . . . 0.41 ' OG1' HG22 ' H' ' 78' ' ' THR . 43.5 p -66.95 158.72 30.11 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.25 4.68 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.65 -80.04 1.41 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -54.53 174.12 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.22 -37.65 3.26 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 74.0 130.95 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.815 0.341 . . . . 0.0 110.639 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.26 122.57 44.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.74 103.27 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.67 174.62 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.115 0.483 . . . . 0.0 111.398 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.35 137.99 23.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.908 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.61 -166.27 0.25 Allowed 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.666 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -165.31 169.5 15.77 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.33 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.54 118.19 22.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.15 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -131.14 102.11 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.808 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.17 54.54 0.62 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.85 110.69 23.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.6 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -140.45 132.54 27.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.751 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 66.0 m -127.63 128.01 44.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.398 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.38 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.674 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.615 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.38 89.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.635 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 43.9 t -136.14 123.82 22.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.638 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.56 136.33 13.13 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.81 -165.88 1.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 0.0 110.555 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 82.1 p -70.25 159.0 34.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.765 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -177.58 86.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -69.86 157.42 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.368 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 97.4 m -129.23 122.72 30.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -150.59 125.82 10.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.518 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.48 -61.25 2.3 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.562 -0.455 . . . . 0.0 109.858 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -131.3 -95.53 0.36 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.02 53.79 13.68 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.51 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.91 -168.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.947 0.403 . . . . 0.0 110.721 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.1 -52.93 1.31 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -164.28 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.607 0.241 . . . . 0.0 110.396 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -129.99 127.01 39.13 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.23 148.76 25.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.257 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -121.21 138.74 54.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 69.5 m -155.5 141.33 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.548 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -156.62 148.83 23.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.712 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.28 177.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.27 153.23 24.31 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.35 -40.28 90.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.496 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.8 178.81 5.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.88 -177.57 6.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 63' ' ' ASN . . . . . 0.429 ' ND2' ' OH ' ' G' ' 50' ' ' TYR . 38.5 t30 -58.4 119.66 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.73 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 92.8 m -126.77 139.57 53.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.371 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.43 -161.52 0.1 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.67 -49.41 47.58 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.626 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.7 -100.17 1.38 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.48 110.93 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.3 171.65 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.717 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 70.9 m -125.48 120.84 32.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.834 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 71' ' ' THR . . . . . 0.406 HG22 ' HD2' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -85.68 171.98 9.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.552 -179.328 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' H' H ' 72' ' ' PRO . . . . . 0.406 ' HD2' HG22 ' H' ' 71' ' ' THR . 69.0 Cg_exo -42.68 170.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 123.231 2.621 . . . . 0.0 113.394 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.03 -158.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.97 91.85 0.01 OUTLIER Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -176.85 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.683 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.1 -173.09 4.02 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.63 86.72 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.627 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 78' ' ' THR . . . . . 0.41 HG22 ' OG1' ' G' ' 78' ' ' THR . 43.5 p -66.85 158.81 29.61 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.3 -158.23 4.75 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.57 -80.19 1.41 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -54.39 174.06 0.07 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.17 -37.5 3.27 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t 73.84 130.98 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.88 0.372 . . . . 0.0 110.643 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.28 122.63 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.547 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.83 103.35 6.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.678 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.75 174.51 10.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.073 0.463 . . . . 0.0 111.352 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -147.25 138.0 23.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.987 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.67 -166.41 0.25 Allowed 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.685 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -165.19 169.53 15.93 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.272 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.42 118.15 22.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.156 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -131.2 102.17 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.15 54.57 0.62 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.79 110.6 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.651 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.33 132.5 28.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 66.4 m -127.66 128.07 44.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.389 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.35 79.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.613 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 53.3 89.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.698 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 44.1 t -136.09 123.89 22.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.637 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.72 136.21 13.01 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -165.42 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 110.616 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 82.2 p -70.54 159.07 34.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.778 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -177.73 86.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.671 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -69.82 157.39 37.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.341 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 99.8 m -129.39 122.8 30.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.122 0.487 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -150.5 126.73 10.62 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.474 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 19.2 m -51.7 -61.41 2.27 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 8.8 t -130.9 -94.58 0.38 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.23 53.99 10.63 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.592 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.08 -167.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 0.0 110.697 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.73 -53.33 1.21 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -163.9 -81.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.684 0.278 . . . . 0.0 110.427 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 70.1 m -129.81 127.45 40.34 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.775 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -103.71 148.67 25.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.221 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -121.22 138.83 54.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m -155.51 141.32 18.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.489 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 94.4 p -156.66 148.83 23.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.635 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 54.17 177.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.915 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.22 153.16 24.11 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.42 -40.01 89.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -92.04 178.54 5.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.69 -177.59 6.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.4 119.73 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 92.8 m -126.61 139.71 52.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.46 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.67 -161.39 0.11 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.78 -49.49 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.525 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.91 -100.35 1.38 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.397 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.56 110.84 19.81 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.29 171.56 7.82 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.525 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -125.19 121.38 33.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.784 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 71' ' ' THR . . . . . 0.404 HG22 ' HD2' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -85.99 171.72 9.9 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.439 -179.351 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' I' I ' 72' ' ' PRO . . . . . 0.404 ' HD2' HG22 ' I' ' 71' ' ' THR . 73.1 Cg_exo -43.22 171.52 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 123.14 2.56 . . . . 0.0 113.224 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -101.06 -158.56 0.68 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.0 91.96 0.01 OUTLIER Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -176.4 -43.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.91 0.386 . . . . 0.0 110.567 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.98 -172.78 5.28 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -95.91 86.53 4.36 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 78' ' ' THR . . . . . 0.402 HG22 ' OG1' ' H' ' 78' ' ' THR . 44.1 p -66.53 159.22 27.78 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.63 -158.09 4.99 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.56 -79.64 1.4 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -55.05 173.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 111.043 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.38 -37.3 3.3 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.6 t 73.62 131.11 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.495 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.39 122.68 44.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.9 103.4 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.441 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.74 174.32 10.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.07 0.462 . . . . 0.0 111.267 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.05 137.91 23.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.938 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -174.88 -167.78 0.31 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.697 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -163.9 169.84 17.58 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.445 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.39 117.98 22.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.23 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -131.48 102.49 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.251 0.548 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 107.91 55.02 0.62 Allowed Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.181 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -96.73 110.64 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.676 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.59 132.52 27.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.811 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 66.3 m -127.57 127.99 44.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.402 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.33 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.623 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.528 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.1 97.06 6.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.524 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -80.65 144.6 32.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.41 -154.64 23.24 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -127.64 155.23 44.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -113.01 18.27 18.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.071 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.77 -167.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.731 0.3 . . . . 0.0 110.638 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.76 156.97 23.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.984 0.421 . . . . 0.0 111.087 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -136.95 130.9 32.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.354 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -149.69 128.42 12.45 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.406 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.1 m -52.06 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.391 -0.523 . . . . 0.0 109.999 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.0 p -130.81 -98.38 0.33 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.183 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.43 53.78 6.74 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.66 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 51.32 -170.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.233 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.19 -54.61 1.09 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.18 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.853 0.359 . . . . 0.0 110.625 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.56 152.81 25.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.381 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -135.97 133.46 37.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.454 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.65 151.03 39.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.688 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.79 -162.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.566 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -73.23 170.38 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.71 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.71 19.13 11.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.68 -90.62 0.09 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.68 135.2 48.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.9 p -158.3 179.77 8.84 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.336 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -124.25 99.48 6.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.505 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -88.83 107.53 19.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.319 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.5 m -124.05 140.94 52.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.147 0.499 . . . . 0.0 111.248 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.8 -158.72 0.05 OUTLIER Glycine 0 CA--C 1.526 0.764 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -83.91 43.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.4 -108.71 0.21 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.8 p -134.45 125.05 26.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -147.88 164.45 33.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.216 0.531 . . . . 0.0 111.382 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -122.99 115.13 21.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.689 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.45 161.18 40.43 Favored Pre-proline 0 C--N 1.326 -0.418 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.074 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -28.62 105.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 124.214 3.276 . . . . 0.0 114.84 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -62.64 111.95 2.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.731 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.73 104.61 0.47 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 69.07 94.48 0.07 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.226 0.536 . . . . 0.0 111.263 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.24 -90.21 0.49 Allowed Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.216 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -100.55 149.74 23.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.9 0.381 . . . . 0.0 111.148 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.2 m -111.37 111.2 22.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.21 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.81 101.69 0.85 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.18 100.71 0.2 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -71.43 132.5 44.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.885 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.17 -45.04 0.75 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.18 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.838 0.351 . . . . 0.0 110.39 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.3 t -104.71 -62.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.224 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.8 91.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.76 139.68 25.3 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.3 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.5 p -141.03 147.18 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.328 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.23 -177.76 1.91 Allowed 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.057 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -144.51 160.32 41.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.668 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.6 t -138.44 134.11 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -146.78 90.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.975 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.24 60.44 0.2 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.701 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' B' ' 92' ' ' GLY . 1.6 mp0 -97.6 104.85 16.91 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.82 141.38 38.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.109 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.4 130.37 21.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.52 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.7 t 54.77 72.93 0.43 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.545 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.01 97.02 6.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -80.64 144.57 32.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.5 -154.65 23.44 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -127.49 155.11 44.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.353 . . . . 0.0 110.91 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.4 m -112.97 18.43 18.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.77 -167.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.746 0.308 . . . . 0.0 110.691 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.81 157.01 23.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.402 . . . . 0.0 111.205 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -136.94 130.93 32.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.417 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.7 128.37 12.41 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.759 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 31.7 m -52.29 -63.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.892 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.6 p -130.56 -98.35 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.09 55.62 5.63 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.41 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.46 -170.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.218 0.509 . . . . 0.0 110.548 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.26 -54.61 1.08 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.16 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 110.615 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 97.1 p -110.61 152.94 25.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.376 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -136.0 133.37 37.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.473 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.68 151.0 39.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.83 -162.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.481 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.21 170.62 14.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.676 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.97 19.15 11.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.78 -90.39 0.09 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.78 135.2 48.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 89.5 p -158.25 -179.79 8.43 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.333 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.62 99.48 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.471 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.93 107.58 19.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -123.85 141.12 52.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.18 -158.46 0.05 OUTLIER Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.07 44.59 1.02 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 122.804 -0.233 . . . . 0.0 111.427 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.7 -108.62 0.18 Allowed Glycine 0 C--N 1.337 0.597 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.41 125.08 26.78 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.84 164.85 32.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.379 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -123.3 115.16 21.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.681 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.48 161.04 40.73 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.011 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -28.6 103.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 124.482 3.455 . . . . 0.0 115.054 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -60.28 112.1 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.323 0.389 . . . . 0.0 110.142 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.51 104.84 0.45 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.33 94.36 0.07 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 111.184 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.16 -90.17 0.49 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -100.35 149.87 23.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.873 0.368 . . . . 0.0 111.079 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 45.6 m -111.25 111.05 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.272 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.57 101.69 0.86 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.2 100.92 0.2 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.47 132.62 45.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.017 0.436 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.17 -45.0 0.75 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.45 132.18 0.02 OUTLIER 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.709 0.29 . . . . 0.0 110.354 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.78 -63.03 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.143 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 50.0 91.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.7 139.75 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.335 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 90.8 p -140.96 147.22 38.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.412 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.2 -177.71 1.91 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.123 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 66.8 m -144.53 160.29 41.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.666 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.4 134.0 33.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -147.06 90.8 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.973 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' GLY . . . . . 0.415 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . 123.09 60.91 0.2 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.684 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' C' ' 92' ' ' GLY . 1.6 mp0 -97.58 104.74 16.8 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.318 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.83 141.62 38.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.116 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.74 130.35 21.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.462 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 40.8 t 54.87 72.94 0.44 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.565 179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.04 96.89 6.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.585 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -80.6 144.62 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.595 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.48 -154.75 23.61 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -127.41 155.13 44.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 69.2 m -112.96 18.45 18.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.68 -167.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.763 0.316 . . . . 0.0 110.656 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 85.0 p -82.88 156.97 23.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.0 0.429 . . . . 0.0 111.2 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -136.94 130.96 32.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.406 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.72 128.45 12.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.762 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 31.9 m -52.27 -63.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.85 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 35.5 p -130.5 -98.26 0.34 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.15 55.44 5.75 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.464 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.69 -170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.489 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.29 -54.63 1.08 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.25 -76.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.626 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 97.5 p -110.59 152.94 25.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.4 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -136.06 133.42 37.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.412 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.7 150.93 39.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.738 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.73 -162.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.505 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.21 170.69 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.676 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -96.03 19.21 11.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.79 -90.47 0.09 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -129.82 135.18 48.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.19 -179.81 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.363 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.6 99.41 6.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.478 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -88.8 107.44 18.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.41 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -123.72 141.03 52.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.214 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.26 -158.41 0.05 OUTLIER Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.06 44.74 1.03 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.358 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.59 -108.59 0.18 Allowed Glycine 0 C--N 1.336 0.578 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -134.46 125.13 26.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.77 164.89 32.19 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.334 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -123.28 115.03 21.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.65 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 160.95 41.07 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.101 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -28.5 102.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 124.503 3.469 . . . . 0.0 115.15 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.05 112.27 1.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.484 0.49 . . . . 0.0 110.162 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.38 104.87 0.44 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.24 94.42 0.07 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.948 0.404 . . . . 0.0 111.182 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.12 -90.21 0.49 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 94.3 p -100.3 149.82 23.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.91 0.386 . . . . 0.0 111.104 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 48.3 m -111.27 111.17 22.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.198 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.57 101.76 0.87 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.17 100.87 0.2 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -71.52 132.71 45.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.133 0.492 . . . . 0.0 110.828 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.09 -44.89 0.76 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.32 132.17 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.806 0.336 . . . . 0.0 110.395 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.75 -62.98 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.206 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.98 91.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.778 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.72 139.82 25.45 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 91.0 p -141.01 147.11 38.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.42 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.12 -177.77 1.95 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.107 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 67.0 m -144.43 160.31 41.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.648 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.28 134.01 33.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.51 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -147.21 90.92 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.95 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 92' ' ' GLY . . . . . 0.414 ' O ' ' NE2' ' B' ' 93' ' ' GLN . . . 123.08 60.93 0.2 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.708 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 93' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' D' ' 92' ' ' GLY . 1.6 mp0 -97.6 104.69 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.302 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.78 141.64 38.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.076 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.67 130.37 21.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.87 72.88 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.599 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.594 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.05 97.06 6.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.503 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 68.3 m -80.73 144.66 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.57 -154.76 23.8 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -127.44 155.18 44.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 69.3 m -112.97 18.4 18.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.078 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.72 -167.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.775 0.321 . . . . 0.0 110.585 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.82 157.06 23.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -136.99 130.89 32.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.442 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.67 128.3 12.38 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.719 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 31.8 m -52.18 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.899 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 35.7 p -130.54 -98.23 0.33 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.13 55.43 5.74 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.439 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.55 -170.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.534 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.15 -54.6 1.09 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.26 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.627 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 97.0 p -110.52 152.9 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.377 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -136.01 133.47 37.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.475 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.78 150.89 39.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.764 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 -162.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.459 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -73.12 170.62 14.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.643 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.96 19.12 12.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.8 -90.41 0.09 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.85 135.13 48.03 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.21 -179.81 8.46 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.283 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -124.61 99.42 6.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.479 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.48 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.36 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.5 m -123.7 141.09 52.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.16 -158.48 0.05 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.05 44.85 1.04 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 122.755 -0.262 . . . . 0.0 111.308 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.57 -108.57 0.18 Allowed Glycine 0 C--N 1.336 0.554 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -134.55 125.16 26.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.83 164.92 32.17 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.37 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -123.28 115.1 21.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.677 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.54 161.07 40.47 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.003 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -28.58 102.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 124.511 3.474 . . . . 0.0 115.13 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.03 112.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.364 0.415 . . . . 0.0 110.16 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.27 104.95 0.43 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.25 94.3 0.07 Allowed 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.964 0.412 . . . . 0.0 111.218 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.94 -90.23 0.47 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 93.8 p -100.41 149.88 23.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.919 0.39 . . . . 0.0 111.05 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 45.7 m -111.14 111.09 21.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.324 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.56 101.72 0.86 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.18 100.87 0.2 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.43 132.61 45.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.129 0.49 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.18 -44.94 0.75 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.41 132.19 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.735 0.302 . . . . 0.0 110.37 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 17.4 t -104.78 -62.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.218 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.9 91.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.79 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 28.6 t -146.65 139.74 25.48 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.381 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 91.7 p -141.02 147.09 38.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.13 -177.81 1.95 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.947 0.403 . . . . 0.0 111.084 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 66.9 m -144.4 160.35 41.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.641 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.25 133.99 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -147.13 90.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.012 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 92' ' ' GLY . . . . . 0.413 ' O ' ' NE2' ' C' ' 93' ' ' GLN . . . 123.02 60.93 0.2 Allowed Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.752 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 93' ' ' GLN . . . . . 0.405 ' NE2' ' O ' ' E' ' 92' ' ' GLY . 1.6 mp0 -97.52 104.61 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.279 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.78 141.66 38.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.72 130.29 21.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.495 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.87 72.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.571 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.07 96.54 6.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.646 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 67.3 m -80.28 143.81 33.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.675 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.96 -154.59 22.2 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -127.59 155.07 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.973 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 69.6 m -112.85 18.37 18.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.82 -167.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.698 0.285 . . . . 0.0 110.656 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -82.82 157.05 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.065 0.459 . . . . 0.0 111.13 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -136.93 130.89 32.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.35 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -149.84 129.21 12.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.765 0.793 . . . . 0.0 110.856 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 23.7 m -55.19 -60.87 2.79 Favored 'General case' 0 CA--C 1.52 -0.202 0 O-C-N 121.195 -0.941 . . . . 0.0 110.133 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -130.57 -97.53 0.34 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.837 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.28 49.75 18.71 Favored Glycine 0 C--N 1.348 1.235 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.257 175.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 52.32 -170.42 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 117.419 0.61 . . . . 0.0 110.112 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.02 -54.13 1.06 Allowed Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -161.83 -79.41 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.992 0.425 . . . . 0.0 109.86 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 95.1 p -109.81 152.52 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.802 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -135.94 133.4 37.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.418 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.69 150.95 39.52 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.905 0.383 . . . . 0.0 110.724 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.7 -162.76 0.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.16 170.59 14.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.631 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.87 19.13 11.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.894 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.81 -90.44 0.09 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.82 135.24 48.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.25 -179.88 8.52 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.344 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.57 99.48 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.455 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.49 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.353 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -123.68 140.76 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.969 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.51 -161.7 0.05 OUTLIER Glycine 0 CA--C 1.526 0.753 0 O-C-N 124.284 0.99 . . . . 0.0 111.515 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -82.88 45.92 1.05 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.985 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.02 -108.61 0.17 Allowed Glycine 0 N--CA 1.472 1.034 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.91 124.69 25.37 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.934 0.873 . . . . 0.0 109.554 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.94 164.56 33.38 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.193 -0.942 . . . . 0.0 111.139 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 66.6 m -123.48 116.4 23.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.4 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 161.21 38.87 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.023 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 72' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' F' ' 73' ' ' GLN . 94.3 Cg_exo -31.89 107.94 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 123.457 2.772 . . . . 0.0 114.153 -176.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -63.04 114.17 3.54 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.527 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.79 103.79 0.39 Allowed Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 71.15 91.91 0.09 Allowed 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.61 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.14 -89.81 0.43 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 94.4 p -100.58 149.53 23.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.957 0.408 . . . . 0.0 111.06 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 41.6 m -110.75 110.45 21.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.541 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.39 101.77 0.87 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.1 100.36 0.2 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -71.26 132.13 44.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.08 0.467 . . . . 0.0 110.927 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.54 -43.4 0.8 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 169.39 132.57 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.246 0.546 . . . . 0.0 110.115 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 18.8 t -105.07 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.71 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 50.04 91.17 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.765 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.51 139.67 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.278 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -140.99 147.1 38.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.446 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.24 -177.74 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.002 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 67.1 m -144.13 160.68 40.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.5 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 2.6 t -138.32 133.9 33.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.881 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -146.46 89.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.429 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 92' ' ' GLY . . . . . 0.405 ' O ' ' NE2' ' D' ' 93' ' ' GLN . . . 123.77 60.56 0.19 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.681 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 93' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' F' ' 92' ' ' GLY . 1.6 mp0 -96.23 104.56 16.53 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.191 -0.203 . . . . 0.0 110.646 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.79 141.41 38.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.046 0.45 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.98 130.43 22.48 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.469 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.98 72.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.666 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.575 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.09 96.95 6.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 68.3 m -80.58 144.6 32.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.51 -154.72 23.6 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -127.47 155.09 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 69.3 m -112.92 18.34 18.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.84 -167.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.794 0.33 . . . . 0.0 110.587 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.85 156.96 23.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -137.01 131.08 32.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.426 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.82 128.45 12.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.765 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m -52.19 -63.39 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.896 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 35.3 p -130.56 -98.28 0.33 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.24 55.45 5.82 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.475 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.57 -170.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.48 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.35 -54.63 1.07 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.21 -76.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.648 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 97.8 p -110.5 152.82 25.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.407 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -135.95 133.45 37.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.473 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.79 150.9 39.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.69 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 -162.74 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.509 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.13 170.72 14.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.709 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -96.03 19.18 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.886 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.79 -90.43 0.09 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.82 135.17 48.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 89.4 p -158.15 -179.76 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.27 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.66 99.56 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.87 107.46 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.355 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -123.72 141.21 52.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -158.34 0.05 OUTLIER Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.13 44.92 1.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.377 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.54 -108.52 0.18 Allowed Glycine 0 C--N 1.335 0.506 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -134.6 125.27 26.87 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.91 164.86 32.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.371 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -123.27 115.13 21.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.738 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.57 161.02 40.55 Favored Pre-proline 0 C--N 1.327 -0.376 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.042 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -28.44 102.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 124.537 3.491 . . . . 0.0 115.127 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 73' ' ' GLN . . . . . 0.407 ' HA ' ' HA ' ' E' ' 72' ' ' PRO . 9.6 mp0 -60.12 112.27 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.395 0.434 . . . . 0.0 110.178 178.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.22 105.06 0.42 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.25 94.44 0.07 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.968 0.413 . . . . 0.0 111.138 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.11 -90.25 0.48 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 94.1 p -100.35 149.89 23.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.081 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 47.6 m -111.25 111.11 21.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.52 101.65 0.86 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.22 100.94 0.2 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.5 132.66 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.987 0.423 . . . . 0.0 110.921 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.1 -44.78 0.76 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.13 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.693 0.282 . . . . 0.0 110.396 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -104.77 -62.84 1.28 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.189 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 49.83 91.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.68 139.8 25.49 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.368 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -141.03 147.05 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.473 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.16 -177.84 1.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.032 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 66.8 m -144.4 160.35 41.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.589 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.31 134.0 33.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -147.11 90.9 1.93 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 92' ' ' GLY . . . . . 0.416 ' O ' ' NE2' ' E' ' 93' ' ' GLN . . . 122.98 60.9 0.2 Allowed Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.766 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 93' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' G' ' 92' ' ' GLY . 1.6 mp0 -97.58 104.72 16.77 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.293 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.85 141.62 38.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.877 0.37 . . . . 0.0 111.024 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.66 130.31 21.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.468 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.86 72.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.534 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.63 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.08 97.06 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -80.68 144.6 32.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.57 -154.78 23.85 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -127.36 155.17 44.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 69.5 m -112.99 18.44 18.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.041 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.68 -167.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.73 0.3 . . . . 0.0 110.624 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.84 156.99 23.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.215 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 93.2 m -136.93 130.91 32.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.416 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.66 128.41 12.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.715 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 31.5 m -52.26 -63.32 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.889 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 35.4 p -130.55 -98.16 0.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.05 55.57 5.62 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.476 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.55 -170.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.588 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.25 -54.7 1.08 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -162.17 -76.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.311 . . . . 0.0 110.671 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 97.3 p -110.52 152.89 25.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.358 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 43.7 t -135.99 133.45 37.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.482 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.69 150.97 39.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.74 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.8 -162.74 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.509 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.16 170.66 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.678 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -96.0 19.2 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.821 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.82 -90.52 0.09 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.75 135.25 48.23 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 89.7 p -158.21 -179.81 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.395 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.66 99.41 6.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.484 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.83 107.48 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.392 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -123.7 141.21 52.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.145 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.29 -158.38 0.05 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.18 44.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.418 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.51 -108.53 0.18 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -134.52 125.01 26.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.69 164.96 31.91 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.362 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -123.33 115.1 21.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.675 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.46 160.97 41.0 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.08 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -28.47 102.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.2 0 C-N-CA 124.521 3.481 . . . . 0.0 115.156 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -59.97 112.19 1.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.417 0.448 . . . . 0.0 110.201 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.3 104.96 0.43 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.26 94.47 0.07 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.933 0.396 . . . . 0.0 111.151 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.1 -90.25 0.48 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 93.8 p -100.39 149.81 23.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 0.0 111.054 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 47.0 m -111.19 111.11 21.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.313 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.53 101.74 0.87 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.22 100.84 0.2 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -71.4 132.64 45.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.049 0.452 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.13 -44.93 0.75 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.37 132.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.795 0.331 . . . . 0.0 110.43 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 17.7 t -104.83 -62.83 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.196 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.92 91.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.72 139.74 25.39 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.311 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -140.99 147.19 38.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.448 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.18 -177.77 1.92 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.047 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 67.1 m -144.49 160.37 41.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.29 133.89 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -147.08 90.86 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.049 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 92' ' ' GLY . . . . . 0.417 ' O ' ' NE2' ' F' ' 93' ' ' GLN . . . 123.02 60.93 0.2 Allowed Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.778 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 93' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' H' ' 92' ' ' GLY . 1.6 mp0 -97.56 104.75 16.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.276 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.83 141.67 38.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.881 0.372 . . . . 0.0 111.046 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.67 130.35 21.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 40.8 t 54.83 72.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.572 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.562 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.05 97.05 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -80.69 144.62 32.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.555 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.49 -154.76 23.65 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -127.42 155.17 44.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 110.813 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 69.5 m -113.04 18.44 18.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.67 -167.42 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.739 0.304 . . . . 0.0 110.69 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.82 156.98 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.932 0.396 . . . . 0.0 111.284 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 93.0 m -136.95 130.95 32.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.402 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -149.72 128.41 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.746 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 31.3 m -52.34 -63.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.391 -0.523 . . . . 0.0 109.836 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 35.4 p -130.53 -98.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.15 55.44 5.75 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 121.254 -0.498 . . . . 0.0 112.48 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.58 -170.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.576 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.36 -54.62 1.07 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -162.18 -76.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.59 152.87 25.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.337 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -135.92 133.49 37.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.76 150.99 39.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.74 -162.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.469 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.12 170.61 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.698 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.98 19.28 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.895 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.88 -90.36 0.09 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -129.88 135.17 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 89.3 p -158.2 -179.75 8.41 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.339 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.62 99.38 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.476 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.53 19.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.332 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.1 m -123.79 141.22 52.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.25 -158.34 0.05 OUTLIER Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.13 44.9 1.05 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.441 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.54 -108.69 0.18 Allowed Glycine 0 C--N 1.336 0.542 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.47 124.98 26.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.68 165.01 31.76 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.274 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -123.34 115.02 20.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.717 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 160.99 40.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.068 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -28.6 102.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 124.516 3.477 . . . . 0.0 115.108 -177.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -59.93 112.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.259 0.349 . . . . 0.0 110.262 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.41 104.91 0.44 Allowed Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.25 94.61 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.946 0.403 . . . . 0.0 111.08 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.22 -90.3 0.49 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 93.9 p -100.27 149.98 23.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.947 0.403 . . . . 0.0 111.04 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 47.6 m -111.32 111.07 21.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.245 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.49 101.81 0.87 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.13 100.92 0.2 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -71.54 132.65 44.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.105 0.479 . . . . 0.0 110.966 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.18 -44.87 0.75 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.2 0.02 OUTLIER 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.743 0.306 . . . . 0.0 110.418 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -104.81 -63.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.155 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 50.0 91.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.71 139.74 25.4 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.366 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 91.1 p -140.93 147.15 38.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.375 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.21 -177.83 1.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.116 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 66.4 m -144.4 160.33 41.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.74 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.27 133.89 33.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -147.11 90.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.003 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 92' ' ' GLY . . . . . 0.417 ' O ' ' NE2' ' G' ' 93' ' ' GLN . . . 123.05 61.01 0.2 Allowed Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.043 -0.599 . . . . 0.0 111.765 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 93' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' I' ' 92' ' ' GLY . 1.6 mp0 -97.55 104.73 16.78 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.277 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.83 141.73 38.68 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.884 0.373 . . . . 0.0 111.041 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.74 130.45 21.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.4 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.74 72.98 0.43 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.58 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.15 97.05 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.528 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 67.9 m -80.78 144.56 32.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.523 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.23 -154.91 23.45 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -127.29 155.19 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 0.0 110.831 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 69.8 m -113.07 18.58 17.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.078 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.71 -167.62 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.707 0.289 . . . . 0.0 110.653 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.64 157.17 23.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.3 m -137.24 130.97 31.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.482 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -149.59 129.44 13.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.689 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 30.4 m -53.61 -63.27 1.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -130.66 -97.86 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 43.96 55.4 5.62 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.249 -0.501 . . . . 0.0 112.412 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.65 -170.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.181 0.49 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.34 -54.77 1.07 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.19 -76.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 0.0 110.647 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.54 152.87 25.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.362 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -136.0 133.53 37.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.445 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.75 150.94 39.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.702 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.69 -162.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.525 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 59.7 p -73.21 170.66 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.63 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.96 19.15 11.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.77 -90.41 0.09 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.89 135.31 48.22 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 89.4 p -158.34 -179.76 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.223 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.71 99.56 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.94 107.53 19.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.38 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.1 m -123.53 141.47 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.165 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.56 -158.32 0.06 OUTLIER Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.21 45.9 1.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 122.816 -0.226 . . . . 0.0 111.163 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.83 -108.54 0.16 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 19.5 p -134.41 125.2 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -148.02 165.0 32.07 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.273 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m -123.48 115.03 20.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.714 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.19 161.06 41.48 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -28.94 103.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 124.543 3.495 . . . . 0.0 114.791 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -60.02 112.77 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.259 0.349 . . . . 0.0 110.217 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.23 105.13 0.42 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.27 94.27 0.07 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.045 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.74 -89.86 0.47 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 94.4 p -100.43 149.79 23.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 111.027 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 47.9 m -110.9 110.97 21.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.38 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.36 101.81 0.88 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.21 101.01 0.2 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -71.43 132.9 45.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.09 0.471 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.07 -44.67 0.77 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.25 132.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.737 0.303 . . . . 0.0 110.445 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.8 -62.94 1.27 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.163 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.86 91.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.764 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 28.7 t -146.66 140.05 25.7 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.671 -0.411 . . . . 0.0 111.267 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 91.7 p -141.29 146.9 37.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.342 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -172.14 -177.95 1.98 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.025 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 67.0 m -144.27 160.2 41.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.662 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -137.95 133.75 34.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -147.3 91.5 1.99 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.072 0.463 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 92' ' ' GLY . . . . . 0.418 ' O ' ' NE2' ' H' ' 93' ' ' GLN . . . 122.68 61.34 0.21 Allowed Glycine 0 CA--C 1.527 0.804 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.727 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -97.44 104.52 16.55 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.355 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.89 141.69 38.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.094 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.71 130.29 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 41.0 t 54.94 72.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.628 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.473 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -65.78 167.28 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.682 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 81.2 p -56.08 93.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.73 172.24 54.89 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -136.51 130.48 32.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.972 0.415 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 t -138.25 139.94 39.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.668 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.24 174.98 6.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -66.74 136.8 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.44 HG23 ' O ' ' B' ' 45' ' ' THR . 42.3 m -123.29 136.56 54.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.305 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.69 163.87 27.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.446 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.1 m -127.31 -51.8 1.4 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.639 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.5 m -136.1 157.41 46.89 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.94 0.4 . . . . 0.0 111.586 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.57 72.76 1.07 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 121.148 -0.548 . . . . 0.0 112.141 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 41.31 81.71 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.518 0.187 . . . . 0.0 111.223 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.05 89.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.21 83.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.0 110.495 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.6 t -130.44 128.2 40.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.861 0.363 . . . . 0.0 110.916 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.9 m -102.28 146.06 28.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.324 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -121.03 121.43 37.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.488 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.3 p -152.18 25.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.1 t -60.34 132.43 53.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -80.75 -27.07 36.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.42 161.4 54.35 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.9 -173.82 2.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.601 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m 57.48 39.68 27.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -101.33 99.6 9.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -114.12 121.26 43.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.558 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.2 m -113.72 123.23 49.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.564 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.88 10.39 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.3 -45.43 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.022 0.439 . . . . 0.0 110.478 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.53 -135.92 13.13 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.472 ' OG1' HG22 ' B' ' 68' ' ' THR . 59.6 p -121.67 141.39 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 110.489 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.29 163.82 32.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.762 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -136.04 121.24 19.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.452 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.409 ' C ' ' OG1' ' B' ' 71' ' ' THR . 29.9 p -73.24 164.55 60.15 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.415 ' N ' ' OG1' ' B' ' 71' ' ' THR . 42.3 Cg_endo -90.13 106.92 0.36 Allowed 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 123.042 2.495 . . . . 0.0 113.708 -176.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -56.49 113.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.848 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.67 101.11 2.59 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.575 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.462 ' CE2' HG23 ' A' ' 78' ' ' THR . 0.1 OUTLIER 66.61 69.3 0.42 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.563 0.697 . . . . 0.0 111.41 179.227 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.51 -98.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.6 t -99.51 120.6 39.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.462 HG23 ' CE2' ' A' ' 75' ' ' TYR . 16.9 m -84.91 123.5 30.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.246 0.546 . . . . 0.0 111.031 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.92 101.3 0.25 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.73 100.54 0.43 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -60.92 -165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.593 0.235 . . . . 0.0 110.756 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.78 -47.71 2.76 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.22 131.04 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.75 0.31 . . . . 0.0 110.44 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -106.71 -65.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.751 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.35 104.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.608 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.9 122.39 34.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.7 m -136.09 116.98 14.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.353 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.06 -171.63 0.45 Allowed 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.867 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.0 p -171.09 163.98 7.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.541 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.45 135.53 5.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.582 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -48.21 -78.77 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.941 0.4 . . . . 0.0 111.703 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.85 79.36 0.06 OUTLIER Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.655 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.61 173.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.724 0.297 . . . . 0.0 110.64 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -149.67 160.03 43.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.56 117.61 20.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.39 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.1 t 56.39 55.18 6.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.634 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.585 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -65.58 167.33 9.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.707 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 80.9 p -56.2 93.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.034 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.8 172.26 54.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -136.35 130.66 33.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.799 0.333 . . . . 0.0 110.594 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 44.6 t -138.42 139.89 39.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.582 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.15 175.02 6.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.678 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.6 m -66.78 136.81 56.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' THR . . . . . 0.445 HG23 ' O ' ' C' ' 45' ' ' THR . 41.3 m -123.13 136.74 54.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.353 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.59 163.33 28.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.635 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.28 -51.87 1.4 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.649 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.4 m -135.9 157.98 45.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.102 0.477 . . . . 0.0 111.593 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.71 74.48 0.91 Allowed Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.917 -0.658 . . . . 0.0 111.997 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.6 82.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.625 0.25 . . . . 0.0 111.42 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.19 89.37 0.05 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 65.31 82.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.537 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.46 127.77 39.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.11 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 70.6 m -101.86 146.19 28.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.309 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.01 121.42 37.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.497 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 80.2 p -152.21 25.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -60.32 132.43 53.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.569 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -80.76 -27.17 36.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.5 161.36 54.35 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.78 -173.7 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.679 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.2 m 57.36 39.68 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.735 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.34 99.73 10.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.16 121.17 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.654 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 85.9 m -113.7 123.33 49.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.616 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.03 130.75 10.34 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.71 -44.8 7.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 0.0 110.493 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.1 -136.22 13.34 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.473 ' OG1' HG22 ' C' ' 68' ' ' THR . 56.6 p -121.45 141.45 51.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.853 0.359 . . . . 0.0 110.53 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.24 164.22 31.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.699 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 29.8 t -136.29 120.91 18.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.353 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.425 ' C ' ' OG1' ' C' ' 71' ' ' THR . 30.1 p -73.61 165.25 54.7 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.886 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.42 ' N ' ' OG1' ' C' ' 71' ' ' THR . 41.4 Cg_endo -90.66 104.49 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 123.319 2.679 . . . . 0.0 114.451 -175.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.98 113.12 1.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.011 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.89 101.35 2.62 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.731 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.464 ' CE2' HG23 ' B' ' 78' ' ' THR . 0.1 OUTLIER 66.76 69.4 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.257 0.551 . . . . 0.0 111.179 179.235 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.41 -98.57 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.48 120.4 39.57 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.464 HG23 ' CE2' ' B' ' 75' ' ' TYR . 17.1 m -83.99 123.93 30.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.936 0.398 . . . . 0.0 111.036 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.34 101.2 0.25 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.67 100.74 0.44 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -61.04 -166.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.731 0.3 . . . . 0.0 110.719 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.92 -47.42 2.71 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.17 131.1 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.68 0.276 . . . . 0.0 110.46 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 67.9 m -106.69 -65.17 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.763 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 19.8 tm0? 65.3 104.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.614 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.88 122.3 34.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 70.7 m -135.91 116.94 14.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.92 -171.56 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.917 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -171.19 163.93 7.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.587 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.38 135.51 5.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.725 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -48.35 -79.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.286 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 79.22 0.06 OUTLIER Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.546 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.56 173.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.715 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.62 160.03 43.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.927 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.58 117.65 20.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.426 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.42 55.1 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.696 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.676 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.72 167.4 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 81.0 p -56.17 93.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.85 172.26 54.98 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -136.37 130.66 33.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.554 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 44.7 t -138.43 139.92 39.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.591 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.09 174.99 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.697 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -66.74 136.75 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' THR . . . . . 0.446 HG23 ' O ' ' D' ' 45' ' ' THR . 41.7 m -123.15 136.74 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.257 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.6 163.43 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.768 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 54.6 m -127.46 -51.79 1.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.703 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 34.2 m -135.95 157.88 45.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.082 0.468 . . . . 0.0 111.617 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.79 74.41 0.92 Allowed Glycine 0 C--O 1.225 -0.437 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.035 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.71 82.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.507 0.194 . . . . 0.0 111.487 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.28 89.38 0.05 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 65.39 82.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.562 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 42.2 t -130.41 127.71 39.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -101.8 146.24 28.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.347 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.11 121.43 37.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.479 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 80.2 p -152.16 25.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.603 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -60.32 132.45 53.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.8 -27.14 36.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.42 161.27 54.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.72 -173.69 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.714 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m 57.38 39.57 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.25 99.68 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.544 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -114.14 121.15 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.664 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 86.2 m -113.61 123.3 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.626 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.95 130.65 10.31 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.69 -44.79 7.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.341 . . . . 0.0 110.542 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.15 -136.28 13.38 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.474 ' OG1' HG22 ' D' ' 68' ' ' THR . 55.9 p -121.46 141.59 50.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.85 0.357 . . . . 0.0 110.54 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -144.32 164.22 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.665 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -136.41 120.86 18.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.252 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.426 ' C ' ' OG1' ' D' ' 71' ' ' THR . 30.2 p -73.58 165.42 53.21 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.902 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 72' ' ' PRO . . . . . 0.421 ' N ' ' OG1' ' D' ' 71' ' ' THR . 41.2 Cg_endo -90.79 104.27 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 123.27 2.647 . . . . 0.0 114.518 -175.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.74 113.1 1.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.036 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.97 101.54 2.64 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.669 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 75' ' ' TYR . . . . . 0.465 ' CE2' HG23 ' C' ' 78' ' ' THR . 0.1 OUTLIER 66.71 69.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.252 0.548 . . . . 0.0 111.129 179.182 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.44 -98.53 0.01 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -99.5 120.5 39.73 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.465 HG23 ' CE2' ' C' ' 75' ' ' TYR . 17.4 m -84.09 124.09 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.965 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.44 101.15 0.24 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.75 100.76 0.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.96 -166.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.737 0.303 . . . . 0.0 110.773 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.93 -47.44 2.71 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.23 131.23 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.762 0.315 . . . . 0.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 67.0 m -106.73 -65.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.706 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.32 104.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.698 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 8.3 t -126.84 122.34 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.939 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -135.9 116.85 14.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.418 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.88 -171.55 0.46 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.915 -179.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -171.14 163.86 7.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.61 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.33 135.62 6.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.745 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -48.42 -79.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.39 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.72 79.2 0.06 OUTLIER Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.515 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.68 173.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.647 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -149.59 160.09 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.65 117.53 20.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.5 55.08 6.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.655 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.677 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -65.71 167.35 9.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.581 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 81.0 p -56.1 93.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.074 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.63 172.21 54.8 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -136.35 130.62 33.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.494 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -138.41 139.92 39.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.617 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.14 174.97 6.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.731 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 67.2 m -66.74 136.87 56.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 45' ' ' THR . . . . . 0.452 HG23 ' O ' ' E' ' 45' ' ' THR . 41.1 m -123.25 136.81 54.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.312 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.61 163.37 28.23 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.702 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 55.1 m -127.48 -51.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.488 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 34.0 m -135.72 158.02 45.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 111.6 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.64 74.48 0.91 Allowed Glycine 0 C--O 1.224 -0.505 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.979 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 39.67 82.14 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.571 0.224 . . . . 0.0 111.418 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.34 89.45 0.06 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.37 82.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.509 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.46 127.64 39.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.124 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 70.2 m -101.74 146.22 28.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.322 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.04 121.41 37.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.18 25.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.594 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.23 132.42 53.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.562 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.81 -27.07 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.57 161.34 54.36 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.8 -173.68 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.635 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m 57.42 39.6 28.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.764 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -101.3 99.67 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.463 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -114.15 121.21 43.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.673 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -113.72 123.24 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.708 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.68 10.32 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.66 -44.8 7.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 110.527 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.11 -136.23 13.35 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 68' ' ' THR . . . . . 0.474 HG22 ' OG1' ' C' ' 68' ' ' THR . 56.3 p -121.54 141.58 50.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.955 0.407 . . . . 0.0 110.458 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.33 164.14 31.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.628 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.23 120.84 18.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.289 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 71' ' ' THR . . . . . 0.428 ' C ' ' OG1' ' E' ' 71' ' ' THR . 30.1 p -73.61 165.42 53.2 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.916 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 72' ' ' PRO . . . . . 0.424 ' N ' ' OG1' ' E' ' 71' ' ' THR . 41.0 Cg_endo -90.78 104.15 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 123.327 2.685 . . . . 0.0 114.649 -175.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.67 113.06 1.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.127 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.92 101.43 2.63 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.731 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 75' ' ' TYR . . . . . 0.464 ' CE2' HG23 ' D' ' 78' ' ' THR . 0.1 OUTLIER 66.81 69.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.227 0.537 . . . . 0.0 111.177 179.213 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.37 -98.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 30.3 t -99.44 120.47 39.66 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 78' ' ' THR . . . . . 0.464 HG23 ' CE2' ' D' ' 75' ' ' TYR . 16.9 m -83.79 123.94 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.174 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.52 101.23 0.25 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.63 100.84 0.44 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -61.14 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.733 0.301 . . . . 0.0 110.72 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.96 -47.46 2.7 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.21 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.68 0.276 . . . . 0.0 110.512 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 67.3 m -106.66 -65.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.684 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.38 104.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.614 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.92 122.39 34.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 70.9 m -135.95 116.97 14.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.342 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.02 -171.6 0.45 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.926 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -171.11 163.84 7.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.586 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.32 135.63 6.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.744 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -48.5 -79.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.64 79.21 0.06 OUTLIER Glycine 0 CA--C 1.525 0.704 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.509 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.61 173.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 110.708 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.6 160.07 43.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.62 117.66 20.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.44 55.07 6.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.7 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -65.53 167.4 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.704 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 82.5 p -55.52 92.53 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.753 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.28 172.45 54.46 Favored Glycine 0 C--N 1.34 0.751 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -136.36 130.59 33.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.345 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -138.43 139.9 39.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.627 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.01 175.0 6.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.74 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 67.5 m -66.85 136.9 56.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 45' ' ' THR . . . . . 0.452 ' O ' HG23 ' D' ' 45' ' ' THR . 40.6 m -123.31 136.8 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.358 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.34 163.02 28.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.846 0.355 . . . . 0.0 110.686 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 50.8 m -128.06 -49.32 1.33 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 119.024 -1.071 . . . . 0.0 112.89 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 41.7 m -131.52 156.53 45.54 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.9 70.54 1.31 Allowed Glycine 0 C--O 1.223 -0.588 0 C-N-CA 119.25 -1.452 . . . . 0.0 112.284 175.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 40.25 82.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.857 0.329 . . . . 0.0 111.049 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.21 87.85 0.05 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 65.6 83.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 110.633 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.99 127.63 38.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 71.1 m -101.88 146.63 27.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.996 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.33 121.5 37.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.627 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.2 25.56 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -60.31 132.44 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.597 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.76 -27.06 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.606 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.55 161.3 54.34 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.73 -173.78 2.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.639 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m 57.47 39.66 27.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.724 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.3 99.36 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.594 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -113.79 120.96 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.735 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.64 123.03 48.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.643 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.38 130.51 10.26 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.56 -45.56 7.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.74 0.305 . . . . 0.0 110.267 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.62 -135.88 13.1 Favored Glycine 0 N--CA 1.469 0.843 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 68' ' ' THR . . . . . 0.473 HG22 ' OG1' ' D' ' 68' ' ' THR . 56.5 p -121.93 141.06 51.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.737 0.303 . . . . 0.0 110.497 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.0 164.25 31.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.693 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -136.34 121.66 19.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.092 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 71' ' ' THR . . . . . 0.429 ' C ' ' OG1' ' F' ' 71' ' ' THR . 30.4 p -73.94 165.45 53.19 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.915 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 72' ' ' PRO . . . . . 0.421 ' N ' ' OG1' ' F' ' 71' ' ' THR . 45.0 Cg_endo -91.6 108.19 0.27 Allowed 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.39 2.06 . . . . 0.0 113.48 -175.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -57.41 114.44 2.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.557 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.77 100.88 2.58 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.813 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 75' ' ' TYR . . . . . 0.47 ' CE2' HG23 ' E' ' 78' ' ' THR . 0.1 OUTLIER 68.2 67.45 0.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.887 0.375 . . . . 0.0 111.516 178.874 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.35 -99.32 0.01 OUTLIER Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 30.1 t -99.07 120.74 39.97 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 78' ' ' THR . . . . . 0.47 HG23 ' CE2' ' E' ' 75' ' ' TYR . 16.4 m -84.06 123.43 30.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 111.081 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.0 101.48 0.26 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.62 100.55 0.43 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.91 -164.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.795 0.331 . . . . 0.0 110.765 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.85 -44.74 3.01 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 169.18 131.43 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.962 0.411 . . . . 0.0 110.238 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 67.8 m -106.82 -65.17 1.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.682 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? 65.42 104.02 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.734 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.53 122.34 34.88 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.771 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -135.97 117.0 14.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.28 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.04 -171.82 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.888 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 86.4 p -170.16 164.58 9.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.531 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.65 135.97 5.97 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.83 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -49.6 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.533 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.69 76.87 0.07 OUTLIER Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.048 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -49.55 173.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 0.0 110.749 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.43 160.08 43.74 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.49 117.44 20.51 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 16.5 t 56.35 55.33 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.811 0.695 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 82.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.655 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -65.67 167.3 9.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.716 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 81.0 p -56.02 93.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.73 172.25 54.89 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -136.26 130.57 33.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.31 . . . . 0.0 110.525 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -138.4 139.95 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.597 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.15 174.97 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.745 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 67.5 m -66.82 136.82 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 45' ' ' THR . . . . . 0.445 HG23 ' O ' ' G' ' 45' ' ' THR . 41.9 m -123.18 136.86 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.291 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.64 163.36 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.754 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.39 -51.87 1.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.489 -0.485 . . . . 0.0 111.646 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 33.9 m -135.83 158.01 45.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.131 0.491 . . . . 0.0 111.636 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.65 74.64 0.9 Allowed Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.964 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.4 82.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.656 0.265 . . . . 0.0 111.496 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.28 89.42 0.05 OUTLIER Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 65.45 82.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 0.0 110.628 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.36 127.62 39.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.141 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -101.74 146.24 28.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.332 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.12 121.39 37.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.432 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 80.0 p -152.21 25.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -60.29 132.45 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.579 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.77 -27.13 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.6 161.25 54.34 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.65 -173.72 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m 57.47 39.6 27.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.33 99.71 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.12 121.2 43.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -113.67 123.31 49.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.641 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.02 130.72 10.33 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.69 -44.78 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.04 -136.36 13.43 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 68' ' ' THR . . . . . 0.471 HG22 ' OG1' ' E' ' 68' ' ' THR . 57.3 p -121.38 141.55 50.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.831 0.348 . . . . 0.0 110.61 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -144.29 164.11 31.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.656 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.29 120.89 18.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.306 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 71' ' ' THR . . . . . 0.429 ' OG1' ' C ' ' E' ' 71' ' ' THR . 30.3 p -73.58 165.4 53.41 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 72' ' ' PRO . . . . . 0.422 ' N ' ' OG1' ' G' ' 71' ' ' THR . 41.0 Cg_endo -90.74 104.22 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 123.268 2.646 . . . . 0.0 114.63 -175.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.59 112.98 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.049 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.96 101.41 2.63 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.725 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 75' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' F' ' 78' ' ' THR . 0.1 OUTLIER 66.88 69.45 0.4 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.246 0.546 . . . . 0.0 111.042 179.174 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.44 -98.51 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.49 120.46 39.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 78' ' ' THR . . . . . 0.467 HG23 ' CE2' ' F' ' 75' ' ' TYR . 17.2 m -83.96 123.94 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.946 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.36 101.2 0.25 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.64 100.78 0.44 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -60.98 -166.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.798 0.332 . . . . 0.0 110.66 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.87 -47.47 2.73 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.24 131.26 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.761 0.315 . . . . 0.0 110.419 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 67.4 m -106.76 -65.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.696 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.22 104.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.85 122.38 34.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -135.97 116.96 14.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.353 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.87 -171.55 0.46 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.012 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 85.9 p -171.13 163.83 7.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.591 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.32 135.61 6.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.719 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.51 -79.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.289 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.58 79.12 0.06 OUTLIER Glycine 0 CA--C 1.525 0.713 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.576 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.55 173.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 110.696 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.52 160.14 43.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.969 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.68 117.61 20.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 16.7 t 56.42 55.13 6.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.714 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.611 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -65.55 167.34 9.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.682 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 81.1 p -56.08 93.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.005 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.87 172.2 55.01 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -136.44 130.62 32.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.559 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 44.7 t -138.35 139.97 39.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.18 175.05 6.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.688 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -66.89 136.86 56.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 45' ' ' THR . . . . . 0.446 HG23 ' O ' ' H' ' 45' ' ' THR . 41.6 m -123.18 136.71 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.265 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.63 163.36 28.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.773 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.35 -51.88 1.39 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.614 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 33.3 m -135.92 157.96 45.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.095 0.474 . . . . 0.0 111.6 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.71 74.48 0.91 Allowed Glycine 0 C--O 1.224 -0.477 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.004 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.65 82.06 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.528 0.204 . . . . 0.0 111.53 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.27 89.35 0.05 OUTLIER Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.38 82.96 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.318 . . . . 0.0 110.526 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.48 127.59 39.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.074 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -101.75 146.33 27.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.278 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.17 121.45 37.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.457 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.28 25.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -60.31 132.48 54.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.568 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -80.82 -27.08 36.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.5 161.18 54.31 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.65 -173.8 2.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.378 . . . . 0.0 110.649 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m 57.54 39.53 27.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.729 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.21 99.62 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -114.09 121.23 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.646 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.69 123.32 49.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.613 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.0 130.67 10.32 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.6 -44.9 7.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 110.502 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.15 -136.32 13.4 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 68' ' ' THR . . . . . 0.47 HG22 ' OG1' ' F' ' 68' ' ' THR . 57.9 p -121.35 141.53 50.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 110.544 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.35 164.2 31.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.648 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.37 120.91 18.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.348 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 71' ' ' THR . . . . . 0.427 ' OG1' ' C ' ' F' ' 71' ' ' THR . 30.1 p -73.58 165.43 53.09 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.901 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 72' ' ' PRO . . . . . 0.42 ' N ' ' OG1' ' H' ' 71' ' ' THR . 41.1 Cg_endo -90.75 104.16 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 123.336 2.69 . . . . 0.0 114.572 -175.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.66 113.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.107 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.92 101.48 2.63 Favored Glycine 0 CA--C 1.523 0.577 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.668 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 75' ' ' TYR . . . . . 0.468 ' CE2' HG23 ' G' ' 78' ' ' THR . 0.1 OUTLIER 66.78 69.44 0.41 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 111.118 179.19 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.38 -98.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -99.47 120.38 39.53 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 78' ' ' THR . . . . . 0.468 HG23 ' CE2' ' G' ' 75' ' ' TYR . 17.4 m -83.91 124.01 30.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.96 0.409 . . . . 0.0 111.016 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.4 101.26 0.25 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.67 100.72 0.44 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.94 -166.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.767 0.317 . . . . 0.0 110.69 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.88 -47.46 2.72 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.19 131.13 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.704 0.288 . . . . 0.0 110.493 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 66.6 m -106.72 -65.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.31 104.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.664 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.81 122.31 34.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 70.9 m -135.9 116.98 14.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.95 -171.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.888 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -171.15 163.86 7.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.594 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.31 135.62 6.12 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.745 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.54 -79.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.327 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.64 79.18 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.493 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.62 173.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.724 0.297 . . . . 0.0 110.691 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.5 160.17 43.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.68 117.6 20.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 16.9 t 56.46 55.07 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.221 -0.399 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.658 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -65.7 167.32 9.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.661 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 81.1 p -56.05 93.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.066 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.83 172.22 54.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -136.32 130.7 33.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.767 0.318 . . . . 0.0 110.467 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -138.44 139.96 39.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.584 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.06 175.01 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.663 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -66.89 136.9 56.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 45' ' ' THR . . . . . 0.447 HG23 ' O ' ' I' ' 45' ' ' THR . 41.0 m -123.23 136.64 54.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.59 163.29 28.39 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.732 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 54.3 m -127.35 -51.79 1.39 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.451 -0.499 . . . . 0.0 111.715 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 33.7 m -135.88 157.98 45.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 0.0 111.612 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.79 74.52 0.91 Allowed Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.975 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.66 82.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.613 0.244 . . . . 0.0 111.474 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.33 89.32 0.05 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.3 82.99 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 110.567 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -130.52 127.58 39.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.088 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -101.74 146.23 28.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.308 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.15 121.47 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.437 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.22 25.58 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.35 132.5 54.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.582 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -80.86 -27.09 36.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.44 161.17 54.3 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.66 -173.81 2.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.309 . . . . 0.0 110.72 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 50.5 m 57.46 39.73 27.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.687 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.32 99.65 10.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.498 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -114.12 121.24 43.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.637 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.69 123.35 49.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.03 130.6 10.29 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.65 -44.71 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.557 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.04 -136.36 13.43 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 68' ' ' THR . . . . . 0.472 ' OG1' HG22 ' I' ' 68' ' ' THR . 57.3 p -121.39 141.52 50.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.847 0.356 . . . . 0.0 110.587 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.32 164.14 31.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.679 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.3 120.93 18.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.303 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 71' ' ' THR . . . . . 0.425 ' OG1' ' C ' ' G' ' 71' ' ' THR . 30.3 p -73.73 165.58 51.85 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.832 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 72' ' ' PRO . . . . . 0.411 ' C ' ' HB3' ' G' ' 72' ' ' PRO . 41.4 Cg_endo -90.81 104.18 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 123.326 2.684 . . . . 0.0 114.539 -175.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.64 113.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.88 101.42 2.62 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.744 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 75' ' ' TYR . . . . . 0.466 ' CE2' HG23 ' H' ' 78' ' ' THR . 0.1 OUTLIER 66.86 69.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.223 0.535 . . . . 0.0 111.116 179.212 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.41 -98.52 0.01 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.43 120.35 39.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 78' ' ' THR . . . . . 0.466 HG23 ' CE2' ' H' ' 75' ' ' TYR . 17.3 m -83.91 124.17 30.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 111.016 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.52 101.22 0.25 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.68 100.79 0.44 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -60.98 -166.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.826 0.346 . . . . 0.0 110.652 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.93 -47.37 2.71 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.19 131.17 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.762 0.315 . . . . 0.0 110.415 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 67.5 m -106.66 -65.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.699 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? 65.31 104.38 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.78 122.41 34.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -135.96 116.88 14.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.394 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.97 -171.79 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.902 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -170.92 163.97 7.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.618 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.35 135.6 6.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.783 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.52 -79.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.256 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.6 79.23 0.06 OUTLIER Glycine 0 CA--C 1.526 0.758 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.508 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.57 173.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.694 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.54 160.07 43.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.934 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.58 117.62 20.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.5 55.07 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 82.5 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.705 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.57 167.3 9.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.706 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 81.2 p -56.11 93.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.986 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.03 172.31 55.11 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -136.27 130.96 33.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.659 0.266 . . . . 0.0 110.513 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 44.4 t -138.65 139.9 38.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.631 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.97 174.96 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.727 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -66.72 137.08 56.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 45' ' ' THR . . . . . 0.447 ' O ' HG23 ' H' ' 45' ' ' THR . 39.9 m -123.42 136.65 54.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.92 161.89 31.97 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 53.1 m -126.27 -52.41 1.51 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.696 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 34.1 m -135.37 158.03 45.39 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.637 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.87 74.5 0.92 Allowed Glycine 0 C--O 1.225 -0.431 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.967 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 39.4 82.7 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.672 0.273 . . . . 0.0 111.44 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.59 89.32 0.06 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 65.05 83.49 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.456 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 42.8 t -131.04 127.44 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.905 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -101.74 146.17 28.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.351 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.03 121.49 38.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.465 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 79.9 p -152.25 25.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.35 132.43 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.68 -27.2 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.622 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.34 161.2 54.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.74 -173.8 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.655 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 50.5 m 57.45 39.7 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.738 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.39 99.73 10.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.07 121.43 43.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.648 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 84.9 m -114.03 123.38 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.575 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.01 130.43 10.23 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -95.1 -44.09 7.81 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.542 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.9 -136.65 13.62 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 68' ' ' THR . . . . . 0.472 HG22 ' OG1' ' H' ' 68' ' ' THR . 52.2 p -121.23 141.62 50.7 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.542 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.42 164.24 31.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.901 0.381 . . . . 0.0 110.582 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -136.25 121.18 18.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.18 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 71' ' ' THR . . . . . 0.412 ' OG1' ' C ' ' H' ' 71' ' ' THR . 31.2 p -73.1 166.67 41.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.715 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 72' ' ' PRO . . . . . 0.402 ' C ' ' HB3' ' H' ' 72' ' ' PRO . 44.8 Cg_endo -91.17 104.79 0.26 Allowed 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 123.282 2.654 . . . . 0.0 114.387 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -53.98 113.53 1.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.046 0.45 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.07 101.49 2.64 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.634 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 75' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' I' ' 78' ' ' THR . 0.2 OUTLIER 66.98 69.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.028 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.29 -98.26 0.01 OUTLIER Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 30.3 t -99.37 120.63 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 78' ' ' THR . . . . . 0.467 HG23 ' CE2' ' I' ' 75' ' ' TYR . 18.6 m -83.51 124.42 30.72 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.001 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.79 101.13 0.24 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.72 100.9 0.44 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -61.12 -166.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.957 0.408 . . . . 0.0 110.67 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.98 -47.18 2.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.15 131.21 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.692 0.282 . . . . 0.0 110.509 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 67.1 m -106.64 -65.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.26 104.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.85 122.35 34.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 71.0 m -135.85 116.96 14.39 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.303 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.04 -172.45 0.5 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.854 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.0 p -170.32 164.05 8.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.618 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 4.4 m -162.03 136.15 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.863 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -49.42 -79.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.54 78.99 0.07 OUTLIER Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.434 -0.889 . . . . 0.0 111.416 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.44 173.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.82 0.343 . . . . 0.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.58 160.03 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.57 117.64 20.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.385 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 16.6 t 56.37 55.32 6.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.679 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.574 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.54 113.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.7 110.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.611 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.38 120.97 0.12 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -148.89 127.36 12.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 110.479 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.6 t -154.03 139.07 17.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.595 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.1 128.07 11.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.545 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.6 m -130.46 133.66 46.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.699 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.468 HG22 ' OG ' ' A' ' 77' ' ' SER . 25.8 m -136.06 122.84 21.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.318 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -150.08 127.07 11.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.343 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.39 -52.45 9.11 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.637 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 p -132.5 -175.53 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.016 0.436 . . . . 0.0 110.987 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.13 68.44 1.65 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' A' ' 58' ' ' TYR . 10.7 m-85 31.98 71.45 0.08 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.146 0.556 . . . . 0.0 112.077 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.7 96.54 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 67.77 87.06 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.859 0.362 . . . . 0.0 110.447 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.9 t -161.87 144.1 11.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.782 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.8 p -150.36 164.66 35.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.432 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 42.01 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.483 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.8 m -59.97 -41.01 91.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.599 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m 49.76 61.65 3.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' A' ' 50' ' ' TYR . 78.8 m-85 -59.96 -39.47 85.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.18 -150.86 12.03 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.06 27.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.707 0.289 . . . . 0.0 110.807 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.5 t -154.2 -69.15 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.751 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.79 105.06 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.519 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.56 154.59 51.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.003 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -134.35 133.96 41.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.66 -160.53 0.09 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.15 -52.05 12.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.08 -120.55 4.85 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -135.31 125.34 25.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.921 0.391 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -150.77 179.49 8.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.072 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -117.06 109.62 17.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.751 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 173.09 6.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.44 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -44.02 172.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 123.044 2.496 . . . . 0.0 113.623 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -102.94 -160.81 0.8 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.751 -1.113 . . . . 0.0 108.588 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.71 93.14 0.01 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.408 ' CG ' ' HA ' ' B' ' 75' ' ' TYR . 2.4 t80 -178.73 -41.07 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.02 -159.98 2.53 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.468 ' OG ' HG22 ' A' ' 45' ' ' THR . 27.7 t -97.1 90.92 5.32 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.994 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.5 p -65.04 118.84 9.72 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.89 89.93 0.51 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.51 130.3 1.15 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -90.78 53.83 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.053 0.454 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.1 -70.41 0.34 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -159.48 106.88 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.477 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -131.95 85.53 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -136.18 143.15 44.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.441 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 p -163.9 -175.92 4.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.04 0.448 . . . . 0.0 111.289 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -144.98 139.36 27.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.731 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -174.09 -170.56 0.55 Allowed 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.146 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -170.7 167.11 7.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 111.095 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.32 137.18 51.82 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.371 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -139.95 87.92 2.19 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.202 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.87 59.69 0.22 Allowed Glycine 0 CA--C 1.526 0.753 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.581 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -98.53 116.1 30.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 110.635 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.3 137.11 37.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.804 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.98 119.74 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.48 79.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.599 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.522 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.49 113.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.66 110.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.35 120.91 0.12 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -148.99 127.07 11.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.557 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -153.87 139.05 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.6 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.06 128.01 11.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.498 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 61.7 m -130.27 133.56 46.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' THR . . . . . 0.47 HG22 ' OG ' ' B' ' 77' ' ' SER . 25.3 m -135.98 122.81 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.419 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -150.04 127.02 11.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.757 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.4 HG22 ' N ' ' B' ' 48' ' ' SER . 1.0 OUTLIER -77.57 -52.65 8.68 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.59 -179.542 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.4 ' N ' HG22 ' B' ' 47' ' ' THR . 59.7 p -132.4 -175.37 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.097 0.475 . . . . 0.0 110.957 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.64 1.34 Allowed Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 30.66 71.99 0.07 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.965 0.45 . . . . 0.0 112.193 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.08 96.45 0.27 Allowed Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.94 86.89 0.13 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.854 0.359 . . . . 0.0 110.433 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.86 143.82 11.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.816 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 98.4 p -150.2 164.8 34.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.521 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 41.95 30.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.462 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -59.94 -41.07 91.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.578 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m 49.83 61.66 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.522 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -60.0 -39.4 85.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.775 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.25 -150.72 11.86 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.22 27.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 0.0 110.79 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 24.1 t -154.32 -68.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.86 105.03 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -135.52 154.92 51.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.013 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 99.2 m -134.54 134.16 41.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.686 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -160.39 0.09 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.21 -51.94 13.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.736 0.303 . . . . 0.0 110.911 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.86 -120.55 4.86 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.37 125.36 25.85 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.54 -179.97 7.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.427 . . . . 0.0 111.056 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -117.41 109.33 16.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.746 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.83 173.3 6.85 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.341 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -43.82 173.46 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 123.072 2.515 . . . . 0.0 113.557 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' B' ' 90' ' ' SER . 0.0 OUTLIER -104.56 -161.6 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.913 -1.04 . . . . 0.0 108.457 178.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.88 93.17 0.01 OUTLIER Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' C' ' 75' ' ' TYR . 2.4 t80 -178.22 -42.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.983 0.421 . . . . 0.0 110.75 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.46 -159.89 2.91 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.47 ' OG ' HG22 ' B' ' 45' ' ' THR . 27.8 t -97.23 90.62 5.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.69 0.281 . . . . 0.0 110.927 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 65.6 p -64.66 118.94 9.63 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.93 90.18 0.51 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.35 130.31 1.15 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -90.62 54.47 2.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.001 0.429 . . . . 0.0 110.795 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.45 -70.37 0.33 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 25.8 t -159.57 107.09 1.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.848 0.356 . . . . 0.0 110.521 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -132.01 85.51 2.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.354 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.21 142.89 44.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.521 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -163.57 -175.81 4.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.071 0.463 . . . . 0.0 111.374 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -145.05 139.04 27.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.762 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -173.81 -170.45 0.57 Allowed 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.321 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -170.76 166.98 7.82 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.423 ' HB3' ' NE2' ' B' ' 73' ' ' GLN . 1.3 p -128.17 137.02 51.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.423 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -140.14 88.67 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.215 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.34 60.04 0.22 Allowed Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.623 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.431 ' NE2' ' HG2' ' C' ' 93' ' ' GLN . 31.6 mt-30 -98.65 116.04 30.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 110.617 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.4 137.05 36.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.93 119.73 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.372 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.56 79.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.561 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.56 113.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.55 110.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.28 120.88 0.12 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -148.88 127.11 12.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 110.646 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 48.1 t -153.89 139.01 17.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.674 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.08 128.04 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.522 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -130.32 133.62 46.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.744 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' THR . . . . . 0.467 HG22 ' OG ' ' C' ' 77' ' ' SER . 25.4 m -135.97 122.81 21.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.386 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -150.05 127.14 11.23 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.682 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' THR . . . . . 0.4 HG22 ' N ' ' C' ' 48' ' ' SER . 1.0 OUTLIER -77.63 -52.71 8.56 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.612 -179.552 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 48' ' ' SER . . . . . 0.4 ' N ' HG22 ' C' ' 47' ' ' THR . 59.9 p -132.37 -175.37 3.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.078 0.466 . . . . 0.0 110.998 -179.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.59 1.35 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' TYR . . . . . 0.411 ' CZ ' ' OH ' ' C' ' 58' ' ' TYR . 10.2 m-85 30.67 71.92 0.07 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.08 96.49 0.27 Allowed Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.92 86.86 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 0.0 110.453 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -161.83 143.85 11.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 100.0 p -150.13 164.78 34.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.39 41.94 30.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.442 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 74.2 m -59.89 -41.03 90.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.654 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 53.3 m 49.73 61.69 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.565 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 58' ' ' TYR . . . . . 0.411 ' OH ' ' CZ ' ' C' ' 50' ' ' TYR . 78.6 m-85 -59.93 -39.58 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.735 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.38 -150.69 11.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.26 27.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 110.794 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 24.3 t -154.32 -69.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.745 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.82 104.98 7.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.501 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.52 155.01 51.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 111.047 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 99.0 m -134.46 134.23 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.98 -160.33 0.09 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.32 -51.94 13.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.684 0.278 . . . . 0.0 110.927 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.92 -120.64 4.89 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -135.34 125.39 25.94 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.565 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.65 -179.97 7.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 111.044 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -117.39 109.43 16.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.713 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.87 173.34 6.8 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.316 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -43.88 173.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 123.066 2.511 . . . . 0.0 113.523 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 73' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' C' ' 90' ' ' SER . 0.0 OUTLIER -104.7 -161.64 0.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.375 178.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.96 93.15 0.01 OUTLIER Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 75' ' ' TYR . . . . . 0.414 ' CG ' ' HA ' ' D' ' 75' ' ' TYR . 2.4 t80 -178.18 -41.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 110.753 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.28 -159.79 2.8 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 77' ' ' SER . . . . . 0.467 ' OG ' HG22 ' C' ' 45' ' ' THR . 27.8 t -97.24 90.66 5.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.683 0.278 . . . . 0.0 110.934 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 64.5 p -64.74 118.85 9.55 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.86 90.29 0.52 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.28 130.31 1.15 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -90.7 54.47 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.916 0.388 . . . . 0.0 110.707 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.39 -70.24 0.33 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 25.8 t -159.63 107.13 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 110.462 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -132.1 85.55 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.25 142.79 44.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.519 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 16.2 p -163.52 -175.82 4.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.008 0.432 . . . . 0.0 111.411 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 66.9 m -145.03 139.01 27.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.718 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -173.78 -170.48 0.58 Allowed 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.348 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -170.77 166.9 7.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.814 0.34 . . . . 0.0 111.079 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 90' ' ' SER . . . . . 0.42 ' HB3' ' NE2' ' C' ' 73' ' ' GLN . 1.3 p -128.13 137.01 51.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.419 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.11 88.69 2.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.265 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.3 60.09 0.23 Allowed Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.619 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 93' ' ' GLN . . . . . 0.431 ' HG2' ' NE2' ' B' ' 93' ' ' GLN . 31.7 mt-30 -98.6 116.02 29.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.733 0.301 . . . . 0.0 110.642 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.36 137.08 36.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 119.77 21.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.64 78.98 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.571 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.61 113.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.532 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.53 110.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.614 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.34 120.88 0.12 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -149.02 127.07 11.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 110.566 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -153.86 139.07 17.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.646 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -151.11 128.0 11.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.564 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 63.1 m -130.29 133.58 46.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 45' ' ' THR . . . . . 0.47 HG22 ' OG ' ' D' ' 77' ' ' SER . 25.1 m -136.01 122.86 21.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.462 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -150.07 127.01 11.12 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 47' ' ' THR . . . . . 0.401 HG22 ' N ' ' D' ' 48' ' ' SER . 1.0 OUTLIER -77.48 -52.78 8.52 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.629 -179.662 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 48' ' ' SER . . . . . 0.401 ' N ' HG22 ' D' ' 47' ' ' THR . 59.6 p -132.21 -175.32 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.97 0.414 . . . . 0.0 111.11 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.79 69.71 1.32 Allowed Glycine 0 C--O 1.224 -0.483 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 50' ' ' TYR . . . . . 0.411 ' CZ ' ' OH ' ' D' ' 58' ' ' TYR . 10.2 m-85 30.57 72.14 0.06 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 179.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.24 96.47 0.28 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.88 86.91 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.39 . . . . 0.0 110.434 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.87 143.85 11.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 97.2 p -150.17 164.75 34.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.557 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.38 41.93 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 73.9 m -59.88 -41.12 90.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 52.7 m 49.88 61.67 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.512 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 58' ' ' TYR . . . . . 0.411 ' OH ' ' CZ ' ' D' ' 50' ' ' TYR . 78.8 m-85 -59.94 -39.59 86.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.38 -150.72 11.77 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.725 0.298 . . . . 0.0 110.778 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 24.4 t -154.29 -69.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.796 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.82 105.01 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.464 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.46 155.03 51.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 111.033 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -134.54 134.13 41.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.758 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.82 -160.37 0.09 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.31 -51.87 13.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.735 0.302 . . . . 0.0 111.03 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.9 -120.6 4.88 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.39 125.42 25.94 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.7 179.97 7.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.952 0.406 . . . . 0.0 111.026 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -117.36 109.44 16.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.682 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.96 173.39 6.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.31 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -43.81 173.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 123.06 2.507 . . . . 0.0 113.504 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 73' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' D' ' 90' ' ' SER . 0.0 OUTLIER -104.71 -161.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.341 178.865 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.95 93.05 0.01 OUTLIER Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 75' ' ' TYR . . . . . 0.423 ' CG ' ' HA ' ' E' ' 75' ' ' TYR . 2.4 t80 -178.07 -41.94 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.939 0.399 . . . . 0.0 110.754 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.34 -159.91 2.81 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 77' ' ' SER . . . . . 0.47 ' OG ' HG22 ' D' ' 45' ' ' THR . 27.6 t -97.2 90.77 5.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.737 0.304 . . . . 0.0 110.951 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 65.8 p -64.62 118.83 9.44 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.886 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.89 90.17 0.51 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.34 130.4 1.16 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -90.72 54.57 2.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.983 0.42 . . . . 0.0 110.74 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.46 -70.26 0.33 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 25.1 t -159.7 107.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.438 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.13 85.43 2.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.348 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.13 142.84 44.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -163.58 -175.92 4.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.002 0.43 . . . . 0.0 111.367 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -144.94 139.08 27.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.77 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -173.82 -170.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.345 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -170.7 166.97 7.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 90' ' ' SER . . . . . 0.42 ' HB3' ' NE2' ' D' ' 73' ' ' GLN . 1.3 p -128.14 136.92 51.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.398 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -140.1 88.77 2.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.235 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.28 60.12 0.23 Allowed Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.667 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 93' ' ' GLN . . . . . 0.429 ' HG2' ' NE2' ' C' ' 93' ' ' GLN . 31.6 mt-30 -98.64 115.97 29.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.738 0.304 . . . . 0.0 110.697 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.32 137.03 37.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.95 119.84 21.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 33.4 t 58.52 79.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.542 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.531 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 8.5 t80 63.48 113.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.25 111.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.0 121.09 0.11 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -149.01 127.08 11.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.764 0.316 . . . . 0.0 110.562 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -153.92 139.07 17.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.632 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.09 128.02 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.507 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 61.8 m -130.28 133.59 46.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.803 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 45' ' ' THR . . . . . 0.47 HG22 ' OG ' ' E' ' 77' ' ' SER . 25.3 m -136.02 122.74 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.46 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.94 127.96 11.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 47' ' ' THR . . . . . 0.424 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -81.1 -49.39 10.92 Favored 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 119.11 -1.036 . . . . 0.0 111.888 -178.34 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' E' E ' 48' ' ' SER . . . . . 0.424 ' N ' HG22 ' E' ' 47' ' ' THR . 57.0 p -130.93 -175.38 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.066 0.46 . . . . 0.0 111.59 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 69.07 70.64 1.12 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 177.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' E' ' 49' ' ' GLY . 10.9 m-85 27.11 76.64 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.323 0.649 . . . . 0.0 110.953 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.61 93.89 0.27 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 68.97 87.16 0.12 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 15.6 t -162.0 143.86 11.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 99.6 p -149.95 165.14 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.373 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.17 41.9 31.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 110.427 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 74.1 m -59.83 -41.18 90.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.623 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 53.7 m 49.91 61.68 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' E' ' 50' ' ' TYR . 78.6 m-85 -59.99 -39.59 86.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.725 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.41 -150.6 11.65 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.33 26.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.718 0.294 . . . . 0.0 110.755 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 23.9 t -154.27 -69.09 0.14 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.78 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.68 104.2 6.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.694 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -134.98 155.1 51.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.944 0.402 . . . . 0.0 111.019 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -134.57 134.01 40.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.597 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.96 -161.98 0.1 OUTLIER Glycine 0 CA--C 1.524 0.656 0 O-C-N 124.621 1.2 . . . . 0.0 111.03 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.44 -52.36 10.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.641 0.258 . . . . 0.0 110.922 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.14 -120.27 4.75 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -135.8 125.13 24.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.124 0.964 . . . . 0.0 110.795 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -151.09 179.39 8.31 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.297 -0.877 . . . . 0.0 110.755 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 94.5 p -117.71 111.63 19.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.43 173.27 6.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 125.02 1.45 . . . . 0.0 109.771 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -44.53 174.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.504 2.104 0 C-N-CA 122.902 2.401 . . . . 0.0 113.474 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 73' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' E' ' 90' ' ' SER . 0.0 OUTLIER -104.51 -161.24 0.81 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.607 -1.178 . . . . 0.0 108.468 179.101 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.67 91.82 0.01 OUTLIER Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 75' ' ' TYR . . . . . 0.423 ' HA ' ' CG ' ' D' ' 75' ' ' TYR . 2.4 t80 -177.54 -41.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.361 . . . . 0.0 111.09 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.99 -159.66 2.61 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 77' ' ' SER . . . . . 0.47 ' OG ' HG22 ' E' ' 45' ' ' THR . 28.2 t -96.89 89.8 5.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.432 0.158 . . . . 0.0 111.164 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 59.6 p -64.39 119.38 10.24 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.52 89.31 0.49 Allowed Glycine 0 CA--C 1.541 1.684 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.297 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.28 129.54 1.08 Allowed Glycine 0 C--N 1.343 0.933 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -90.34 56.48 3.38 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.677 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -120.6 -69.88 0.29 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 25.6 t -159.86 107.06 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -131.67 84.48 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.07 0.856 . . . . 0.0 110.275 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -135.63 142.3 45.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.68 0.276 . . . . 0.0 110.492 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 16.9 p -163.17 -176.49 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.048 0.452 . . . . 0.0 111.391 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 66.6 m -144.61 139.12 27.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.716 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -173.86 -170.49 0.57 Allowed 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.448 0.642 . . . . 0.0 111.321 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 88.6 p -169.7 168.34 9.08 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.834 -0.542 . . . . 0.0 111.078 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 90' ' ' SER . . . . . 0.421 ' HB3' ' NE2' ' E' ' 73' ' ' GLN . 1.3 p -128.69 136.94 51.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.759 178.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -139.46 88.45 2.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.489 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.38 59.82 0.22 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.566 -0.613 . . . . 0.0 111.566 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 93' ' ' GLN . . . . . 0.429 ' HG2' ' NE2' ' D' ' 93' ' ' GLN . 31.9 mt-30 -96.49 115.56 27.64 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.992 -0.122 . . . . 0.0 111.157 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.28 137.1 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.828 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.44 119.68 21.95 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.196 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 33.2 t 58.61 79.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.723 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.608 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.56 113.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.62 110.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.584 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.25 120.94 0.11 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -148.93 127.06 12.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.727 0.298 . . . . 0.0 110.59 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 47.9 t -153.92 139.02 17.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -151.08 128.08 11.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.523 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 62.3 m -130.36 133.62 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.753 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 45' ' ' THR . . . . . 0.468 HG22 ' OG ' ' F' ' 77' ' ' SER . 25.4 m -136.16 122.91 21.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.41 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -150.03 127.18 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.718 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 47' ' ' THR . . . . . 0.403 HG22 ' N ' ' F' ' 48' ' ' SER . 1.0 OUTLIER -77.61 -52.78 8.46 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.595 -179.62 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' F' F ' 48' ' ' SER . . . . . 0.403 ' N ' HG22 ' F' ' 47' ' ' THR . 59.7 p -132.24 -175.43 3.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.028 0.442 . . . . 0.0 111.042 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.98 69.87 1.29 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 50' ' ' TYR . . . . . 0.41 ' CZ ' ' OH ' ' F' ' 58' ' ' TYR . 10.2 m-85 30.37 72.02 0.06 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.13 96.42 0.27 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.9 86.86 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.907 0.384 . . . . 0.0 110.425 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.79 143.8 11.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.799 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -150.13 164.79 34.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.35 42.03 30.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.457 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -59.91 -41.04 90.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.662 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 52.9 m 49.73 61.73 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.521 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 58' ' ' TYR . . . . . 0.41 ' OH ' ' CZ ' ' F' ' 50' ' ' TYR . 78.6 m-85 -59.97 -39.55 86.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.34 -150.69 11.77 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.71 0.29 . . . . 0.0 110.758 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 24.0 t -154.34 -69.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.78 105.02 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.474 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.57 155.1 51.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.918 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -134.63 134.16 40.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.662 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.88 -160.34 0.09 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.38 -51.85 14.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.65 0.262 . . . . 0.0 110.962 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.88 -120.63 4.89 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -135.44 125.41 25.83 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.632 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -150.66 -179.96 7.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 111.026 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 97.4 p -117.32 109.41 16.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.683 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.97 173.37 6.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.327 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -43.8 173.6 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 123.088 2.525 . . . . 0.0 113.474 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 73' ' ' GLN . . . . . 0.417 ' NE2' ' HB3' ' F' ' 90' ' ' SER . 0.0 OUTLIER -104.71 -161.67 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.355 178.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.89 93.13 0.01 OUTLIER Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 75' ' ' TYR . . . . . 0.417 ' CG ' ' HA ' ' G' ' 75' ' ' TYR . 2.4 t80 -178.21 -41.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 110.683 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.33 -159.87 2.81 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 77' ' ' SER . . . . . 0.468 ' OG ' HG22 ' F' ' 45' ' ' THR . 27.9 t -97.23 90.66 5.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.693 0.282 . . . . 0.0 110.886 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 65.2 p -64.66 118.91 9.58 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.86 90.12 0.51 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.36 130.36 1.16 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -90.63 54.51 2.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.921 0.391 . . . . 0.0 110.756 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.4 -70.28 0.33 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 25.6 t -159.59 107.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.831 0.348 . . . . 0.0 110.514 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.08 85.5 2.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.24 142.72 44.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.588 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -163.45 -175.86 4.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.017 0.437 . . . . 0.0 111.449 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 66.9 m -145.0 139.09 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.686 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -173.77 -170.49 0.58 Allowed 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.31 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -170.79 166.93 7.76 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 90' ' ' SER . . . . . 0.417 ' HB3' ' NE2' ' F' ' 73' ' ' GLN . 1.3 p -128.05 136.97 51.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.46 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.14 88.73 2.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.247 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.29 60.12 0.23 Allowed Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.61 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 93' ' ' GLN . . . . . 0.429 ' NE2' ' HG2' ' G' ' 93' ' ' GLN . 31.7 mt-30 -98.63 115.94 29.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.741 0.305 . . . . 0.0 110.635 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.35 137.04 36.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.89 119.68 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.479 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.58 79.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.562 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.537 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 8.5 t80 63.53 113.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.54 110.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.617 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.25 120.95 0.11 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -148.95 127.1 12.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.54 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -153.92 139.07 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.572 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -151.13 128.06 11.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.428 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 62.4 m -130.35 133.61 46.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.745 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 45' ' ' THR . . . . . 0.469 HG22 ' OG ' ' G' ' 77' ' ' SER . 25.3 m -135.98 122.82 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.4 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -150.05 127.06 11.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.705 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 47' ' ' THR . . . . . 0.405 HG22 ' N ' ' G' ' 48' ' ' SER . 1.0 OUTLIER -77.55 -52.81 8.43 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.554 -179.563 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' G' G ' 48' ' ' SER . . . . . 0.405 ' N ' HG22 ' G' ' 47' ' ' THR . 59.7 p -132.2 -175.33 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.0 0.429 . . . . 0.0 111.135 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.84 69.75 1.31 Allowed Glycine 0 C--O 1.224 -0.514 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' G' ' 58' ' ' TYR . 10.2 m-85 30.64 71.89 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.13 96.43 0.27 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.92 86.89 0.13 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.86 0.362 . . . . 0.0 110.448 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -161.85 143.7 11.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -150.07 164.73 34.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.543 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 42.0 30.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.481 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 73.9 m -59.89 -41.01 90.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.636 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 53.1 m 49.82 61.69 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.485 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' G' ' 50' ' ' TYR . 79.0 m-85 -59.99 -39.47 85.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.804 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.32 -150.7 11.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.35 27.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.689 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 24.1 t -154.34 -69.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.85 105.04 7.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.473 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.59 155.03 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -134.5 134.17 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.704 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.85 -160.34 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.4 -51.92 14.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.682 0.277 . . . . 0.0 110.905 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.88 -120.61 4.88 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.37 125.31 25.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.653 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.59 -179.93 7.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.009 0.433 . . . . 0.0 111.067 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -117.5 109.42 16.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.702 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.91 173.34 6.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.299 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.87 173.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 123.102 2.535 . . . . 0.0 113.47 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 73' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' G' ' 90' ' ' SER . 0.0 OUTLIER -104.59 -161.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.422 178.854 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.83 93.02 0.01 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 75' ' ' TYR . . . . . 0.417 ' HA ' ' CG ' ' F' ' 75' ' ' TYR . 2.4 t80 -178.03 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.983 0.421 . . . . 0.0 110.74 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.3 -159.86 2.79 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 77' ' ' SER . . . . . 0.469 ' OG ' HG22 ' G' ' 45' ' ' THR . 27.8 t -97.29 90.68 5.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.731 0.3 . . . . 0.0 110.915 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 64.9 p -64.67 118.92 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.93 90.21 0.52 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.36 130.36 1.16 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -90.59 54.4 2.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.935 0.398 . . . . 0.0 110.783 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.37 -70.27 0.33 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 25.3 t -159.62 107.15 1.72 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.808 0.337 . . . . 0.0 110.473 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -132.12 85.51 2.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.15 142.82 44.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.612 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -163.52 -175.89 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.075 0.464 . . . . 0.0 111.374 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -144.94 139.12 27.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.724 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -173.87 -170.55 0.57 Allowed 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.287 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -170.69 166.96 7.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.857 0.361 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 90' ' ' SER . . . . . 0.416 ' HB3' ' NE2' ' G' ' 73' ' ' GLN . 1.3 p -128.12 136.94 51.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.415 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.12 88.85 2.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.196 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.17 60.06 0.23 Allowed Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.736 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 93' ' ' GLN . . . . . 0.429 ' HG2' ' NE2' ' F' ' 93' ' ' GLN . 31.7 mt-30 -98.57 116.03 29.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.709 0.29 . . . . 0.0 110.646 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.46 137.13 36.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.9 0.381 . . . . 0.0 110.771 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 119.76 21.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.394 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.54 79.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.62 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.567 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.6 113.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.71 110.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.511 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.37 120.89 0.12 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -148.99 127.07 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -153.8 139.05 17.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.605 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.13 128.1 11.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.529 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -130.36 133.7 46.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.705 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 45' ' ' THR . . . . . 0.468 HG22 ' OG ' ' H' ' 77' ' ' SER . 25.4 m -136.07 122.76 21.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.366 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -149.95 127.23 11.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.68 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 47' ' ' THR . . . . . 0.402 HG22 ' N ' ' H' ' 48' ' ' SER . 1.0 OUTLIER -77.65 -52.81 8.38 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.55 -179.639 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' H' H ' 48' ' ' SER . . . . . 0.402 ' N ' HG22 ' H' ' 47' ' ' THR . 59.8 p -132.26 -175.45 3.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.039 0.447 . . . . 0.0 111.008 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.72 1.32 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' H' ' 58' ' ' TYR . 10.4 m-85 30.59 71.94 0.07 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.02 96.45 0.27 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.87 86.84 0.13 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.912 0.387 . . . . 0.0 110.424 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 15.7 t -161.77 143.69 11.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 97.6 p -150.05 164.79 34.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.508 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.39 41.95 30.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.473 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -59.9 -41.01 90.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.619 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 52.8 m 49.71 61.7 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' H' ' 50' ' ' TYR . 78.7 m-85 -60.0 -39.43 85.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.28 -150.7 11.82 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.33 27.16 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.698 0.285 . . . . 0.0 110.744 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 24.2 t -154.38 -69.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.806 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.77 104.97 7.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.5 155.0 51.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 111.01 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 99.6 m -134.61 134.22 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.71 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.91 -160.3 0.09 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.28 -52.01 13.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.657 0.265 . . . . 0.0 110.9 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.89 -120.68 4.91 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.33 125.3 25.8 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.587 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -150.58 -180.0 7.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.992 0.425 . . . . 0.0 111.028 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -117.38 109.52 16.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.682 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.01 173.38 6.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.317 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -43.88 173.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 123.094 2.529 . . . . 0.0 113.467 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 73' ' ' GLN . . . . . 0.414 ' NE2' ' HB3' ' H' ' 90' ' ' SER . 0.0 OUTLIER -104.74 -161.61 0.83 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.393 178.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.02 93.18 0.01 OUTLIER Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 75' ' ' TYR . . . . . 0.417 ' HA ' ' CG ' ' G' ' 75' ' ' TYR . 2.4 t80 -178.04 -42.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.001 0.429 . . . . 0.0 110.707 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.47 -159.79 2.96 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 77' ' ' SER . . . . . 0.468 ' OG ' HG22 ' H' ' 45' ' ' THR . 27.8 t -97.31 90.61 5.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.656 0.265 . . . . 0.0 110.909 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -64.57 119.0 9.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.94 90.25 0.52 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.29 130.39 1.16 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -90.74 54.57 2.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.895 0.379 . . . . 0.0 110.677 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.45 -70.27 0.33 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 25.0 t -159.56 107.11 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.443 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.03 85.51 2.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.378 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -136.22 142.77 44.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.5 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 16.4 p -163.48 -175.93 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.031 0.443 . . . . 0.0 111.429 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 67.2 m -144.9 139.11 27.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.734 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -173.84 -170.66 0.58 Allowed 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.324 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.6 p -170.55 167.01 8.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.85 0.357 . . . . 0.0 111.088 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 90' ' ' SER . . . . . 0.414 ' HB3' ' NE2' ' H' ' 73' ' ' GLN . 1.3 p -128.15 137.02 51.91 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.393 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -140.16 88.92 2.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.188 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.1 60.18 0.23 Allowed Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.69 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 93' ' ' GLN . . . . . 0.428 ' HG2' ' NE2' ' G' ' 93' ' ' GLN . 31.7 mt-30 -98.61 116.0 29.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.683 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.41 137.05 36.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.99 119.82 21.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.59 79.06 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.562 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.516 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 8.5 t80 63.52 113.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.611 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.55 110.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.67 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.4 120.89 0.12 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -149.04 127.0 11.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.603 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 48.2 t -153.78 139.01 17.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.597 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.12 127.99 10.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 62.2 m -130.26 133.57 46.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.734 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 45' ' ' THR . . . . . 0.467 HG22 ' OG ' ' I' ' 77' ' ' SER . 24.7 m -136.09 122.78 21.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.462 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -149.77 128.39 12.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.683 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -52.61 7.94 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.249 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -132.53 -175.38 3.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.987 0.422 . . . . 0.0 111.032 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.02 69.62 1.34 Allowed Glycine 0 C--O 1.224 -0.512 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 50' ' ' TYR . . . . . 0.408 ' CZ ' ' OH ' ' I' ' 58' ' ' TYR . 10.2 m-85 30.51 73.28 0.05 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.896 0.409 . . . . 0.0 111.974 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.32 96.39 0.33 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 67.81 86.56 0.13 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.818 0.342 . . . . 0.0 110.452 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 16.2 t -161.56 143.82 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.784 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 98.1 p -150.13 164.85 34.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.456 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.28 42.13 30.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -60.05 -41.1 91.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 52.3 m 49.76 61.65 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 58' ' ' TYR . . . . . 0.408 ' OH ' ' CZ ' ' I' ' 50' ' ' TYR . 78.8 m-85 -59.95 -39.45 85.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.748 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.25 -150.71 11.84 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.686 0.279 . . . . 0.0 110.744 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 24.0 t -154.2 -69.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.378 . . . . 0.0 110.79 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.83 105.07 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.73 155.14 50.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 110.796 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.6 m -134.45 134.48 41.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.694 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.21 -160.11 0.1 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.53 -51.65 15.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.431 0.157 . . . . 0.0 110.853 -179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.7 -120.82 4.97 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 19.5 p -135.09 126.49 28.49 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.475 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -151.87 179.83 8.1 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.875 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 97.2 p -117.3 109.99 17.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.622 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.35 173.06 7.01 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.197 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -44.3 174.22 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.957 2.438 . . . . 0.0 113.421 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 73' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' I' ' 90' ' ' SER . 0.0 OUTLIER -104.65 -161.43 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.56 178.882 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.87 93.25 0.01 OUTLIER Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 75' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' I' ' 73' ' ' GLN . 2.5 t80 -177.68 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.014 0.435 . . . . 0.0 110.444 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.24 -159.23 3.89 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 77' ' ' SER . . . . . 0.467 ' OG ' HG22 ' I' ' 45' ' ' THR . 27.6 t -97.91 90.49 4.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.617 0.246 . . . . 0.0 110.724 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 62.6 p -64.27 118.94 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.81 90.34 0.52 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.25 130.51 1.17 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -90.75 55.19 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.337 . . . . 0.0 110.61 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.73 -70.12 0.32 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 24.3 t -159.76 107.18 1.69 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 0.0 110.429 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -132.03 85.66 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.272 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.24 142.59 44.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.528 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 16.5 p -163.44 -176.57 4.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.386 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 66.7 m -144.24 139.12 28.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.809 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -174.04 -171.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.291 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -169.8 167.13 9.44 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.935 0.398 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 90' ' ' SER . . . . . 0.416 ' HB3' ' NE2' ' I' ' 73' ' ' GLN . 1.3 p -127.96 136.84 51.87 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.517 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -140.37 89.47 2.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.051 0.453 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.7 60.61 0.24 Allowed Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.67 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 93' ' ' GLN . . . . . 0.426 ' HG2' ' NE2' ' H' ' 93' ' ' GLN . 31.7 mt-30 -98.56 115.83 29.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.727 0.299 . . . . 0.0 110.724 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.39 137.05 36.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.787 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.85 119.77 21.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.381 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.54 79.05 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.64 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.59 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -112.67 128.19 56.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -129.25 101.9 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.55 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.76 135.48 12.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -130.76 144.1 51.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.647 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m 51.24 48.56 22.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.622 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -85.82 113.3 21.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -141.08 143.88 34.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.523 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -144.65 143.31 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.779 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -146.88 146.72 30.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.045 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.99 -52.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.186 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.1 t -134.57 129.45 35.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.677 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.98 76.23 0.87 Allowed Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.282 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 31.28 69.9 0.09 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.05 0.5 . . . . 0.0 112.217 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.65 95.22 0.45 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.2 94.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.445 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -159.11 160.1 35.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.239 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.8 m -133.41 138.89 46.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.809 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 48.78 29.73 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.791 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.36 152.58 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.349 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.4 m 49.16 38.11 12.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.61 134.21 56.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.676 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.22 -177.44 38.26 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.52 -35.0 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 110.41 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.9 m -128.46 148.13 50.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.411 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.81 55.87 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.47 113.02 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.633 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -119.92 131.85 55.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.04 -161.39 0.19 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -51.7 12.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.935 0.398 . . . . 0.0 111.132 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.39 -119.88 4.59 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.7 p -116.75 110.56 18.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.034 0.445 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.87 160.26 41.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.36 122.89 42.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.571 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.525 HG22 ' CD ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -79.71 170.47 15.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.914 179.783 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.525 ' CD ' HG22 ' A' ' 71' ' ' THR . 51.6 Cg_exo -53.39 106.24 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.323 2.015 . . . . 0.0 112.974 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -69.18 113.47 6.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.46 -85.63 0.39 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -116.27 108.05 15.62 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.275 0.559 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.54 -86.1 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.85 173.82 14.77 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.513 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.435 ' OG1' HG22 ' B' ' 78' ' ' THR . 80.9 p -136.35 166.88 22.43 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.467 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.11 -134.83 1.61 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.05 -93.61 2.22 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -49.08 165.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 79.94 59.86 2.53 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 82' ' ' GLY . 68.2 m -22.72 126.12 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 124.619 0.835 . . . . 0.0 112.146 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.402 ' CB ' HG21 ' A' ' 78' ' ' THR . 60.8 p -103.06 107.48 18.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.114 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.26 103.03 9.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.992 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.2 m -140.39 156.99 46.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.021 0.438 . . . . 0.0 111.245 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.88 134.83 33.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.016 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.5 -176.25 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.955 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.6 p -169.09 160.52 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.6 t -164.06 144.2 8.16 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -145.93 73.08 1.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.257 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.29 53.03 0.09 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -97.36 112.17 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.712 0.291 . . . . 0.0 110.801 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.85 120.59 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.552 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.42 131.74 42.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.429 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.8 m 56.25 49.48 15.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.515 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.55 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.71 128.29 56.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.481 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 62.0 m -129.34 101.9 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.52 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.74 135.45 12.8 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.72 144.34 51.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 110.58 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m 51.07 48.49 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.682 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -85.82 113.34 21.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.92 143.77 34.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.672 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.59 142.98 30.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.788 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -146.47 146.33 30.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.266 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.05 -52.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.34 129.87 36.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.615 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 109.21 78.89 1.07 Allowed Glycine 0 C--O 1.222 -0.61 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.854 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' B' ' 49' ' ' GLY . 9.4 m-85 28.41 70.61 0.06 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 95.29 0.47 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.24 94.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.362 . . . . 0.0 110.46 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.2 p -159.24 160.0 34.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 59.0 m -133.41 138.92 46.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.689 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.815 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.24 152.65 44.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.34 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.16 38.13 12.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.62 134.21 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.711 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.13 -177.08 37.95 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.9 -35.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.322 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 63.9 m -128.54 148.05 50.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.375 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.92 55.83 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.517 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.55 113.09 24.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.613 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -119.87 131.93 55.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.07 -161.22 0.19 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -51.67 13.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.715 0.293 . . . . 0.0 111.056 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.45 -119.92 4.6 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.61 110.4 18.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.515 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.74 160.37 40.85 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 74.8 m -119.37 122.89 42.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.604 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.529 HG22 ' CD ' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -79.75 170.25 16.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.902 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.529 ' CD ' HG22 ' B' ' 71' ' ' THR . 53.0 Cg_exo -53.4 104.44 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.417 2.078 . . . . 0.0 113.249 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -67.21 113.75 5.4 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.5 -85.65 0.39 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.03 108.12 15.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.967 0.413 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.77 -85.67 0.03 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.76 174.16 14.33 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.507 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.436 ' OG1' HG22 ' C' ' 78' ' ' THR . 81.6 p -136.43 167.47 21.28 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.398 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.64 -134.77 1.8 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.02 -93.61 2.22 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.02 164.92 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' B' ' 83' ' ' SER . . . 79.71 60.51 2.45 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' SER . . . . . 0.422 ' C ' ' O ' ' B' ' 82' ' ' GLY . 68.2 m -23.35 126.25 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 O-C-N 124.53 0.782 . . . . 0.0 112.114 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.402 ' CB ' HG21 ' B' ' 78' ' ' THR . 60.6 p -103.13 107.55 18.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.071 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.23 102.99 9.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.949 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 63.7 m -140.28 157.06 46.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.96 0.41 . . . . 0.0 111.226 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.89 134.79 33.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.041 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.45 -176.26 5.68 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.052 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -169.01 160.39 9.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.559 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 38.1 t -163.93 144.22 8.36 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.209 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.17 74.68 1.38 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.062 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.74 52.98 0.08 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.33 112.05 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.801 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.81 120.7 31.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.544 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.53 131.72 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.383 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 61.2 m 56.17 49.56 15.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.557 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.5 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.74 128.29 56.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 61.9 m -129.33 101.9 6.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.572 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.77 135.43 12.78 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.71 144.31 51.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.715 0.293 . . . . 0.0 110.607 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m 51.07 48.61 22.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.646 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -85.89 113.3 21.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.443 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.92 143.76 34.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.587 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.63 142.95 30.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.744 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -146.42 146.31 30.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.249 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.1 -52.64 1.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.208 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -134.33 129.95 36.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.624 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 109.14 79.03 1.09 Allowed Glycine 0 C--O 1.222 -0.601 0 C-N-CA 120.346 -0.93 . . . . 0.0 111.887 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' C' ' 49' ' ' GLY . 9.4 m-85 28.28 70.65 0.06 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 95.15 0.47 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.31 94.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 110.374 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -159.23 160.0 34.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.287 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 58.6 m -133.38 138.89 46.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.798 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.86 29.63 2.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.771 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.23 152.56 44.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.391 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m 49.21 38.14 12.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -62.69 134.27 56.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.696 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.1 -176.98 37.86 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -135.94 -35.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.355 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 63.4 m -128.48 148.15 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.385 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.8 55.86 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.53 113.08 24.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.641 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -119.77 131.98 55.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.26 -161.19 0.2 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -51.61 13.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.745 0.307 . . . . 0.0 111.099 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.45 -119.89 4.59 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.65 110.39 18.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.493 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -143.76 160.39 40.82 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.41 122.84 42.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 71' ' ' THR . . . . . 0.528 HG22 ' CD ' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -79.68 170.27 16.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.926 179.776 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 72' ' ' PRO . . . . . 0.528 ' CD ' HG22 ' C' ' 71' ' ' THR . 52.8 Cg_exo -53.5 104.21 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.469 2.113 . . . . 0.0 113.286 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.94 113.75 5.21 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.307 0.379 . . . . 0.0 110.121 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.65 -85.83 0.39 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.02 108.35 16.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.422 . . . . 0.0 110.747 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.86 -85.67 0.03 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.71 174.21 14.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.53 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.436 HG22 ' OG1' ' B' ' 78' ' ' THR . 81.5 p -136.45 167.54 21.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.64 -134.76 1.8 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.04 -93.52 2.22 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.13 164.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 82' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' C' ' 83' ' ' SER . . . 79.68 60.68 2.42 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 83' ' ' SER . . . . . 0.423 ' C ' ' O ' ' C' ' 82' ' ' GLY . 68.6 m -23.48 126.26 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.675 0 O-C-N 124.492 0.76 . . . . 0.0 112.072 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 84' ' ' SER . . . . . 0.404 ' CB ' HG21 ' C' ' 78' ' ' THR . 60.4 p -103.14 107.59 18.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.074 -178.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -117.33 102.92 9.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.971 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 63.3 m -140.14 157.01 46.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 111.302 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.85 134.93 33.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.986 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.5 -176.32 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.996 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 90.2 p -168.91 160.53 10.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 38.2 t -163.99 144.21 8.27 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.276 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.25 74.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.043 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.67 53.02 0.08 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.32 112.07 24.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.92 120.62 30.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.499 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.5 131.7 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.415 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m 56.21 49.58 15.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.513 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.587 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.67 128.24 56.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.546 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 61.8 m -129.32 101.89 6.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.636 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.78 135.34 12.71 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -130.61 144.34 51.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.315 . . . . 0.0 110.516 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m 51.04 48.59 22.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.696 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -85.9 113.36 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.365 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.96 143.71 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.627 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -144.57 142.95 30.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -146.42 146.31 30.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.189 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.01 -52.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.13 130.03 36.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.67 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 109.16 78.92 1.08 Allowed Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.326 -0.94 . . . . 0.0 111.886 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 50' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' E' ' 49' ' ' GLY . 9.4 m-85 28.36 70.67 0.06 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.97 95.18 0.47 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.35 94.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.458 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 86.7 p -159.22 159.97 34.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 59.2 m -133.39 138.99 46.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.74 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.87 29.54 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.789 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 83.7 p -69.2 152.58 44.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.415 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.19 38.17 12.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.72 134.26 56.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.679 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -176.92 37.81 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -136.0 -35.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.905 0.383 . . . . 0.0 110.335 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 63.7 m -128.43 148.17 50.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.78 55.8 8.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.582 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.45 113.19 25.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.687 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -120.02 131.96 55.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.07 -161.22 0.19 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -51.63 13.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.655 0.264 . . . . 0.0 111.059 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.43 -119.85 4.58 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -116.65 110.31 18.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.557 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.7 160.4 40.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.924 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.42 122.86 42.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 71' ' ' THR . . . . . 0.527 HG22 ' CD ' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -79.73 170.31 16.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.901 179.75 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 72' ' ' PRO . . . . . 0.527 ' CD ' HG22 ' D' ' 71' ' ' THR . 52.7 Cg_exo -53.5 104.07 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.548 2.165 . . . . 0.0 113.343 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.77 113.71 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.328 0.393 . . . . 0.0 110.187 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.56 -85.79 0.39 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.09 108.13 15.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.97 0.414 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.65 -85.69 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 88.5 p -160.7 174.19 14.32 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 122.421 -0.458 . . . . 0.0 111.633 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 78' ' ' THR . . . . . 0.44 ' OG1' HG22 ' E' ' 78' ' ' THR . 81.1 p -136.36 167.39 21.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.749 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.56 -135.02 1.81 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.536 -1.025 . . . . 0.0 110.536 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -101.83 -93.87 2.21 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -48.83 165.0 0.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 82' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' D' ' 83' ' ' SER . . . 79.62 60.71 2.42 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 83' ' ' SER . . . . . 0.424 ' C ' ' O ' ' D' ' 82' ' ' GLY . 67.8 m -23.48 126.23 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 124.547 0.793 . . . . 0.0 112.151 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 84' ' ' SER . . . . . 0.403 ' CB ' HG21 ' D' ' 78' ' ' THR . 60.3 p -103.15 107.52 18.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.016 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -117.33 102.99 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.944 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 64.2 m -140.3 156.97 46.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 111.271 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 42.5 t -138.75 134.89 34.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.983 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.49 -176.25 5.67 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.101 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 90.5 p -168.96 160.43 10.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.522 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 37.9 t -163.94 144.29 8.37 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.185 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -146.31 75.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.988 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 53.0 0.08 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.31 112.1 24.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.91 120.64 30.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.479 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.48 131.75 42.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.409 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m 56.19 49.59 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.52 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.592 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.72 127.9 56.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 60.2 m -128.83 101.37 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.796 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.57 135.5 12.85 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.69 144.32 51.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 110.621 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m 51.08 48.55 22.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.625 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -85.88 113.07 21.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.466 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -140.44 143.71 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.44 143.24 30.8 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.824 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -146.05 146.54 30.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.367 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 47' ' ' THR . . . . . 0.417 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -122.8 -50.47 1.95 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.179 178.035 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 48' ' ' SER . . . . . 0.417 ' N ' HG22 ' E' ' 47' ' ' THR . 35.6 t -131.17 128.3 39.75 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.88 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 49' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.84 72.1 0.63 Allowed Glycine 0 C--O 1.216 -0.972 0 C-N-CA 117.872 -2.108 . . . . 0.0 113.327 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 50' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' E' ' 49' ' ' GLY . 10.3 m-85 28.27 75.5 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.382 0.61 . . . . 0.0 111.065 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.6 92.85 0.53 Allowed Glycine 0 CA--C 1.519 0.322 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 68.27 94.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.371 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -159.3 160.0 34.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 59.3 m -133.24 139.27 46.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.57 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.76 29.46 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.699 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.25 152.55 44.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.365 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m 49.23 38.12 12.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.68 134.27 56.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.672 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.14 -177.04 37.93 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.92 -35.13 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.378 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 62.8 m -128.5 148.1 50.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.395 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 52.35 56.73 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.414 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -95.13 113.62 25.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.488 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -120.15 131.79 55.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.57 -162.22 0.19 Allowed Glycine 0 CA--C 1.526 0.758 0 O-C-N 123.973 0.796 . . . . 0.0 111.211 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.52 -51.92 11.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.7 0.286 . . . . 0.0 111.087 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.31 -119.74 4.55 Favored Glycine 0 N--CA 1.466 0.673 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.81 109.96 17.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.785 0.326 . . . . 0.0 110.544 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.55 160.5 40.51 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.806 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 75.6 m -119.76 123.73 44.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.42 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 71' ' ' THR . . . . . 0.522 HG22 ' CD ' ' E' ' 72' ' ' PRO . 0.0 OUTLIER -80.4 170.11 17.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 O-C-N 124.216 0.948 . . . . 0.0 109.675 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 72' ' ' PRO . . . . . 0.522 ' CD ' HG22 ' E' ' 71' ' ' THR . 51.3 Cg_exo -54.77 108.06 0.27 Allowed 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.534 1.489 . . . . 0.0 112.36 -177.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -69.3 114.56 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.841 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.92 -85.85 0.39 Allowed Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -115.58 106.11 13.55 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.603 0.239 . . . . 0.0 111.362 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.74 -84.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.671 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -161.18 174.27 13.89 Favored 'General case' 0 CA--C 1.527 0.058 0 CA-C-N 117.266 0.533 . . . . 0.0 111.471 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 78' ' ' THR . . . . . 0.44 HG22 ' OG1' ' D' ' 78' ' ' THR . 81.5 p -136.46 167.05 22.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.55 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.72 -133.63 1.63 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -103.34 -91.82 2.21 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.208 -0.996 . . . . 0.0 111.53 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -50.09 164.14 0.12 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.321 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 82' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' E' ' 83' ' ' SER . . . 84.74 53.96 3.06 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 118.396 -1.859 . . . . 0.0 110.584 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 83' ' ' SER . . . . . 0.441 ' C ' ' O ' ' E' ' 82' ' ' GLY . 66.9 m -20.79 125.95 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 O-C-N 124.148 0.557 . . . . 0.0 112.368 -177.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 84' ' ' SER . . . . . 0.405 ' CB ' HG21 ' E' ' 78' ' ' THR . 58.5 p -103.14 106.21 16.68 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.77 -177.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -116.44 101.98 9.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.332 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 64.3 m -140.04 156.73 46.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.935 0.397 . . . . 0.0 111.084 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.78 134.8 33.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.037 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.53 -176.31 5.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.065 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 90.8 p -168.6 160.37 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.465 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 38.3 t -162.96 144.62 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.307 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.09 74.83 1.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.273 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.98 52.54 0.08 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -96.25 111.93 23.83 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.984 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.83 120.7 31.22 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.18 0.3 . . . . 0.0 110.537 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.2 131.65 42.37 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.465 0.478 . . . . 0.0 110.07 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 62.1 m 56.38 49.5 14.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.67 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.542 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.69 128.26 56.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -129.34 101.92 6.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.8 135.51 12.83 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.76 144.34 51.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 110.568 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m 51.01 48.61 22.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.635 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -85.87 113.36 21.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.461 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -140.98 143.79 34.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.63 142.97 30.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -146.38 146.32 30.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.265 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.05 -52.78 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.13 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 40.7 t -134.26 129.75 36.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.625 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 49' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' E' ' 50' ' ' TYR . . . 109.3 79.16 1.09 Allowed Glycine 0 CA--C 1.523 0.539 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.928 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 50' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' F' ' 49' ' ' GLY . 9.4 m-85 28.01 70.86 0.06 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 178.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.02 95.21 0.48 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.24 94.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 110.417 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 86.2 p -159.19 159.94 34.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -133.32 138.92 46.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.81 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.25 152.6 44.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.363 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m 49.25 38.11 12.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.493 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.69 134.26 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.658 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -177.02 37.9 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -136.0 -35.1 0.78 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.881 0.372 . . . . 0.0 110.377 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -128.39 148.14 50.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.456 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.86 55.87 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.527 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.6 113.11 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -119.81 132.07 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.24 -161.12 0.19 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -51.75 13.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.727 0.298 . . . . 0.0 111.08 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.6 -119.95 4.6 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.6 110.45 18.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.322 . . . . 0.0 110.519 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.74 160.43 40.73 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.938 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.5 122.85 42.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 71' ' ' THR . . . . . 0.523 HG22 ' CD ' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -79.67 170.36 16.27 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.819 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' F' F ' 72' ' ' PRO . . . . . 0.523 ' CD ' HG22 ' F' ' 71' ' ' THR . 52.6 Cg_exo -53.48 104.18 0.1 Allowed 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.491 2.127 . . . . 0.0 113.294 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.86 113.68 5.11 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.237 0.335 . . . . 0.0 110.114 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.59 -85.94 0.39 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.51 108.08 15.99 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.86 -85.58 0.03 OUTLIER Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.77 174.18 14.29 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.498 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 78' ' ' THR . . . . . 0.439 HG22 ' OG1' ' E' ' 78' ' ' THR . 81.4 p -136.46 167.56 21.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.451 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.73 -134.71 1.82 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.05 -93.59 2.22 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -48.95 164.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 82' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' F' ' 83' ' ' SER . . . 79.58 60.66 2.44 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 83' ' ' SER . . . . . 0.426 ' C ' ' O ' ' F' ' 82' ' ' GLY . 68.9 m -23.49 126.28 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.54 0.788 . . . . 0.0 112.097 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 84' ' ' SER . . . . . 0.405 ' CB ' HG21 ' F' ' 78' ' ' THR . 60.7 p -103.07 107.53 18.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.153 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.33 102.93 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.952 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 63.6 m -140.23 157.02 46.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.03 0.443 . . . . 0.0 111.292 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.79 134.89 34.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.996 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.48 -176.2 5.64 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.027 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 89.4 p -169.03 160.41 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.568 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 38.3 t -163.83 144.26 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.292 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.24 74.98 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.976 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 52.92 0.08 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.31 112.06 24.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.87 120.61 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.527 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.48 131.71 41.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 61.7 m 56.27 49.55 15.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.509 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.581 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -112.65 128.24 56.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 62.5 m -129.31 101.97 6.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.585 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.88 135.55 12.86 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.72 144.31 51.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.562 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m 51.03 48.46 23.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.75 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -85.81 113.29 21.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.45 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -140.89 143.72 34.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.602 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -144.57 142.99 30.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.837 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -146.45 146.28 30.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.256 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.01 -52.76 1.97 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.179 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -134.28 129.89 36.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.613 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 109.14 78.97 1.08 Allowed Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.945 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' G' ' 49' ' ' GLY . 9.4 m-85 28.39 70.68 0.06 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.9 95.15 0.47 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.25 94.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -159.2 159.98 34.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.232 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 58.6 m -133.38 138.97 46.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.79 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.818 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.26 152.56 44.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m 49.21 38.2 12.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.518 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.71 134.22 55.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.72 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.08 -176.96 37.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.94 -35.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.916 0.388 . . . . 0.0 110.345 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 62.7 m -128.39 148.1 50.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.463 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.8 55.86 8.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.48 113.08 24.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.695 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -119.82 131.97 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.21 -161.18 0.19 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.09 -51.75 13.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.727 0.298 . . . . 0.0 111.027 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.54 -119.91 4.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.64 110.41 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.73 160.5 40.61 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.92 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.47 122.86 42.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.536 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 71' ' ' THR . . . . . 0.521 HG22 ' CD ' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -79.72 170.27 16.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.904 179.764 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 72' ' ' PRO . . . . . 0.521 ' CD ' HG22 ' G' ' 71' ' ' THR . 52.8 Cg_exo -53.41 104.1 0.1 OUTLIER 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.449 2.099 . . . . 0.0 113.35 -178.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -66.9 113.8 5.23 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.281 0.363 . . . . 0.0 110.08 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.64 -85.73 0.39 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.06 108.21 15.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.72 -85.71 0.03 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.74 174.26 14.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.521 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 78' ' ' THR . . . . . 0.44 ' OG1' HG22 ' H' ' 78' ' ' THR . 81.7 p -136.5 167.62 21.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.438 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.7 -134.82 1.83 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.01 -93.54 2.21 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.0 164.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 82' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' G' ' 83' ' ' SER . . . 79.74 60.57 2.43 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -179.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 83' ' ' SER . . . . . 0.428 ' C ' ' O ' ' G' ' 82' ' ' GLY . 68.2 m -23.36 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.473 0.749 . . . . 0.0 112.102 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 84' ' ' SER . . . . . 0.405 ' CB ' HG21 ' G' ' 78' ' ' THR . 59.9 p -103.25 107.57 18.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.079 -178.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.32 102.97 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.931 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 64.4 m -140.21 156.95 46.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.942 0.401 . . . . 0.0 111.263 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.75 134.84 34.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.069 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.45 -176.2 5.64 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.136 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -169.04 160.45 9.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.592 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 37.7 t -163.92 144.21 8.37 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.216 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.21 75.08 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.974 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.52 53.0 0.08 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.36 112.13 24.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 110.78 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.9 120.57 30.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.511 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.42 131.77 42.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.424 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 62.0 m 56.25 49.49 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.563 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -112.67 128.15 56.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 62.3 m -129.28 101.94 6.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.524 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.88 135.51 12.83 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.71 144.39 51.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.502 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 49.0 m 50.97 48.53 22.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -85.91 113.32 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -140.91 143.71 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.51 142.9 30.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.819 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -146.41 146.28 30.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.307 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.13 -52.67 1.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.32 129.9 36.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.661 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 109.21 78.92 1.07 Allowed Glycine 0 CA--C 1.524 0.632 0 C-N-CA 120.373 -0.918 . . . . 0.0 111.939 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' H' ' 49' ' ' GLY . 9.5 m-85 28.3 70.71 0.06 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.93 95.24 0.47 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.22 94.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.93 0.395 . . . . 0.0 110.395 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 86.4 p -159.21 159.98 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.262 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -133.33 138.94 46.58 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.797 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.76 29.65 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.83 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.27 152.52 44.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.443 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m 49.21 38.26 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.541 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.8 134.27 56.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -177.02 37.89 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.96 -35.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.401 . . . . 0.0 110.384 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 62.8 m -128.43 148.16 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.405 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.83 55.8 8.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.51 113.08 24.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -119.84 132.04 55.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.595 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.24 -161.11 0.19 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.1 -51.76 13.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.792 0.33 . . . . 0.0 111.043 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.49 -119.97 4.61 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -116.64 110.3 18.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.71 160.48 40.63 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.41 122.89 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.521 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 71' ' ' THR . . . . . 0.52 HG22 ' CD ' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -79.77 170.22 16.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.876 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' H' H ' 72' ' ' PRO . . . . . 0.52 ' CD ' HG22 ' H' ' 71' ' ' THR . 53.0 Cg_exo -53.44 104.19 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.477 2.118 . . . . 0.0 113.218 -178.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -66.93 113.75 5.2 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.264 0.353 . . . . 0.0 110.14 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.68 -85.83 0.39 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.9 108.27 16.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.87 0.366 . . . . 0.0 110.78 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.95 -85.44 0.03 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 88.5 p -160.87 174.24 14.15 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.461 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 78' ' ' THR . . . . . 0.44 HG22 ' OG1' ' G' ' 78' ' ' THR . 81.6 p -136.49 167.6 21.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.436 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.71 -134.75 1.82 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.02 -93.66 2.22 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.06 164.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 82' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' H' ' 83' ' ' SER . . . 79.8 60.49 2.44 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 83' ' ' SER . . . . . 0.427 ' C ' ' O ' ' H' ' 82' ' ' GLY . 68.7 m -23.43 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 O-C-N 124.509 0.77 . . . . 0.0 112.074 -179.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 84' ' ' SER . . . . . 0.405 ' CB ' HG21 ' H' ' 78' ' ' THR . 60.0 p -103.16 107.53 18.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.079 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -117.28 102.99 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.0 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 63.3 m -140.25 157.0 46.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.013 0.435 . . . . 0.0 111.23 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 42.7 t -138.83 134.79 33.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.054 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.46 -176.29 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.076 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -168.94 160.43 10.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.576 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 38.2 t -163.89 144.26 8.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.306 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -146.29 75.19 1.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.015 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.37 52.97 0.08 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.27 112.03 24.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.297 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.84 120.63 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.515 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.47 131.76 42.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 61.3 m 56.19 49.55 15.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.552 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.546 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -112.65 128.21 56.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.535 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 61.5 m -129.28 101.86 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.522 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.83 135.52 12.84 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -130.61 144.57 51.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.747 0.308 . . . . 0.0 110.509 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m 50.85 48.49 22.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.681 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -85.86 113.34 21.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.426 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -140.97 143.51 34.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.598 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 8.9 t -144.49 142.7 30.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -146.48 145.39 30.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.376 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -121.43 -53.04 2.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 42.1 t -133.99 130.16 37.21 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.614 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 49' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 109.18 78.92 1.08 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.87 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 50' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' I' ' 49' ' ' GLY . 9.3 m-85 28.14 72.18 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.16 95.24 0.57 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 67.27 94.07 0.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.52 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -158.75 160.12 35.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 59.2 m -133.42 138.96 46.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.773 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 48.77 29.6 2.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.827 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.24 152.62 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.371 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.18 38.19 12.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -62.66 134.28 56.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.26 -176.94 37.92 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.96 -35.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.373 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 63.3 m -128.4 148.16 50.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.43 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 52.8 55.83 8.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.591 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.55 113.12 24.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 95.8 m -119.73 132.13 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.37 -161.04 0.2 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.27 -51.56 14.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.569 0.223 . . . . 0.0 110.982 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.39 -120.14 4.68 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 16.5 p -116.45 110.43 18.62 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.492 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.87 160.48 40.71 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.767 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.4 123.33 43.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.453 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 71' ' ' THR . . . . . 0.527 HG22 ' HD2' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -80.1 170.22 16.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.713 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' I' I ' 72' ' ' PRO . . . . . 0.527 ' HD2' HG22 ' I' ' 71' ' ' THR . 53.2 Cg_exo -53.58 104.32 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.57 2.18 . . . . 0.0 112.976 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -66.96 114.29 5.65 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.48 -85.87 0.39 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -115.7 108.54 16.5 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.77 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.85 -85.15 0.03 OUTLIER Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 89.4 p -160.96 174.22 14.12 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.052 0.453 . . . . 0.0 111.496 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 78' ' ' THR . . . . . 0.438 HG22 ' OG1' ' H' ' 78' ' ' THR . 82.4 p -136.2 168.35 19.56 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.48 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.18 -134.27 1.9 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.38 -92.85 2.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -49.91 164.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' I' ' 83' ' ' SER . . . 79.92 60.61 2.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 83' ' ' SER . . . . . 0.422 ' C ' ' O ' ' I' ' 82' ' ' GLY . 69.2 m -23.34 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.531 0.783 . . . . 0.0 112.121 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 84' ' ' SER . . . . . 0.41 ' CB ' HG21 ' I' ' 78' ' ' THR . 59.9 p -103.04 107.47 18.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.124 -178.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.24 102.85 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.05 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 63.8 m -140.21 156.91 46.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.976 0.417 . . . . 0.0 111.275 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.67 134.83 34.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.046 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.62 -176.93 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.041 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 89.6 p -168.29 160.56 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 38.5 t -163.89 144.61 8.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.957 0.408 . . . . 0.0 111.302 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -146.71 76.36 1.43 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.55 52.98 0.07 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -97.25 111.9 23.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.813 0.34 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.88 120.59 30.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.39 131.75 42.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.407 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 61.4 m 56.22 49.54 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.51 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.602 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.44 114.64 28.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.495 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -142.55 100.74 3.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.647 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.99 166.01 29.85 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -150.95 161.62 42.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 0.0 110.598 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 65.0 m -124.2 150.66 44.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.66 -170.56 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.0 p -78.61 160.63 27.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.051 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 t -144.35 138.98 28.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.657 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -150.71 129.04 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.274 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.12 -52.57 7.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.973 0.416 . . . . 0.0 111.467 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.3 t -132.1 -160.3 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.117 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.94 51.96 31.33 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.456 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 54.74 -175.38 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.88 -59.95 0.81 Allowed Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.148 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.63 -70.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.659 0.266 . . . . 0.0 111.157 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.0 t -109.67 147.71 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.748 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.44 134.25 32.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.662 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.74 152.98 43.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.44 -167.25 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.627 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.35 153.67 28.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -74.29 -33.54 63.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.414 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.1 -169.6 42.39 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.36 135.11 52.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.682 0.277 . . . . 0.0 110.425 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -161.9 -169.56 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.934 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.13 115.3 19.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.368 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -94.28 101.98 13.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.64 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.8 m -121.94 130.44 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.19 -159.44 0.06 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.85 43.16 0.48 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.84 -112.29 0.56 Allowed Glycine 0 C--N 1.338 0.687 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.5 p -130.69 123.81 30.17 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -147.73 168.27 22.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.36 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -133.76 116.18 15.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.87 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.91 162.69 48.98 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -27.83 104.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.14 0 C-N-CA 124.394 3.396 . . . . 0.0 114.814 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -61.45 111.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.535 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.58 105.5 0.37 Allowed Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.6 t80 69.86 92.67 0.08 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.172 0.511 . . . . 0.0 111.318 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.79 -94.17 0.36 Allowed Glycine 0 CA--C 1.526 0.749 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.404 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.8 155.18 18.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 111.018 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.425 HG21 ' OH ' ' B' ' 75' ' ' TYR . 11.9 m -119.93 108.6 14.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.444 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.57 113.33 2.17 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.0 92.73 0.36 Allowed Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -58.86 -166.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.66 0.267 . . . . 0.0 110.585 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.54 -46.8 2.56 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.22 127.49 0.02 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.811 0.338 . . . . 0.0 110.647 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.7 m -148.79 97.87 2.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.114 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.96 120.57 31.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.697 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.5 t -138.69 154.06 48.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.001 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.1 p -138.57 146.32 41.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.099 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -174.27 -172.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.005 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.5 t -172.41 160.64 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.63 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.6 t -163.01 143.82 9.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.973 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -145.95 79.72 1.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.024 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 164.29 55.41 0.02 OUTLIER Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -97.99 116.77 30.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.758 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.57 132.78 42.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.736 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.84 125.44 25.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.665 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.3 m 51.93 34.42 13.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.613 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.26 114.61 28.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 42.7 t -142.58 100.68 3.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.666 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.95 166.05 29.83 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -150.92 161.57 42.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.818 0.342 . . . . 0.0 110.615 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 66.0 m -124.17 150.68 44.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.501 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.56 -170.4 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 96.5 p -78.86 160.65 27.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 12.9 t -144.33 139.13 28.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.681 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -150.92 129.02 11.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.586 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.31 -52.77 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.376 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.79 -159.77 0.99 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.109 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.35 53.48 25.1 Favored Glycine 0 C--O 1.223 -0.586 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.25 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.13 -175.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.133 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.78 -60.02 0.81 Allowed Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.061 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -151.64 -70.89 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 111.109 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -109.48 147.66 32.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.7 t -139.41 134.26 32.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.619 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.8 153.04 43.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.49 -167.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.608 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.5 p -80.41 153.61 28.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -74.33 -33.52 63.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.414 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.01 -169.58 42.51 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.46 135.21 52.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 91.6 p -161.78 -169.02 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.03 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.68 115.32 19.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.251 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.38 102.01 13.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -121.79 130.8 53.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.59 -159.35 0.07 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.86 44.09 0.53 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.21 -112.17 0.48 Allowed Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 71.4 p -130.66 123.66 29.88 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.58 168.75 21.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.136 0.493 . . . . 0.0 111.259 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 40.5 t -134.05 116.09 15.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.823 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.1 162.55 48.9 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -27.6 102.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.194 0 C-N-CA 124.713 3.609 . . . . 0.0 115.1 -178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -59.18 111.97 1.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.931 0.396 . . . . 0.0 110.02 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.23 106.07 0.33 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.425 ' OH ' HG21 ' A' ' 78' ' ' THR . 1.6 t80 69.81 92.66 0.08 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.914 0.388 . . . . 0.0 111.219 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.66 -94.19 0.35 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 85.6 p -91.6 155.23 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 111.094 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.424 HG21 ' OH ' ' C' ' 75' ' ' TYR . 12.2 m -119.65 108.48 14.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.5 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.39 113.24 2.16 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.21 92.7 0.35 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -58.99 -166.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.742 0.306 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.78 -46.6 2.51 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.1 127.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.801 0.334 . . . . 0.0 110.671 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.79 97.82 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.105 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -125.01 120.16 30.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.347 . . . . 0.0 110.695 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 27.2 t -138.13 154.17 49.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.54 146.22 41.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.169 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.15 -172.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.089 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.4 160.54 4.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.592 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 30.5 t -162.97 143.81 9.57 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.216 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -146.04 80.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.966 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.42 55.52 0.02 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.93 116.63 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.59 132.87 42.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.734 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.9 125.4 25.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.689 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m 51.9 34.44 13.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.53 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.36 114.59 28.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.609 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -142.46 100.74 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.99 166.06 29.85 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -150.96 161.62 42.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.613 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 66.4 m -124.26 150.59 45.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.551 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.5 -170.39 3.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 96.3 p -78.91 160.63 27.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 12.9 t -144.26 139.08 28.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.687 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.9 129.0 11.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.581 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.28 -52.62 7.12 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.518 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.91 -159.77 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.105 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.21 53.53 25.41 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.27 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.17 -176.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.162 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.62 -59.97 0.82 Allowed Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.074 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -151.69 -70.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.154 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -109.51 147.71 32.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.46 134.26 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.641 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -124.76 152.95 43.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.48 -167.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.626 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 88.0 p -80.42 153.66 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -74.28 -33.61 63.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.468 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.08 -169.59 42.41 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.4 135.22 52.84 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.395 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -161.76 -169.0 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.69 115.28 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.335 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.46 102.1 14.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.589 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 96.2 m -121.72 130.88 53.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.49 -159.25 0.07 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.96 44.08 0.54 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.15 -112.15 0.48 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 69.4 p -130.75 123.63 29.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.5 168.81 20.96 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.321 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.08 116.16 15.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.811 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.07 162.47 49.23 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.334 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_exo -27.46 102.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.231 0 C-N-CA 124.621 3.547 . . . . 0.0 115.191 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -58.81 112.07 1.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.313 0.383 . . . . 0.0 109.987 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.04 106.11 0.32 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 75' ' ' TYR . . . . . 0.424 ' OH ' HG21 ' B' ' 78' ' ' THR . 1.7 t80 69.76 92.74 0.08 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.989 0.423 . . . . 0.0 111.208 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.67 -94.11 0.35 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.66 155.24 18.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 0.0 110.966 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.423 HG21 ' OH ' ' D' ' 75' ' ' TYR . 12.6 m -119.67 108.55 14.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.431 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.37 113.38 2.2 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.09 92.68 0.36 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -59.0 -167.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.801 0.334 . . . . 0.0 110.482 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 -46.73 2.47 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.16 127.56 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.885 0.374 . . . . 0.0 110.641 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.82 97.82 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.112 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.97 120.11 30.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.716 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -138.1 154.12 49.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.047 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 90.7 p -138.48 146.22 41.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.169 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.18 -172.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.096 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 46.3 t -172.33 160.47 4.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.652 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.86 143.84 9.77 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.178 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.1 81.04 1.58 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.976 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.33 55.52 0.02 OUTLIER Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -98.01 116.61 30.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.705 0.288 . . . . 0.0 110.773 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.47 132.9 43.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.705 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.95 125.38 25.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.691 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m 51.9 34.47 13.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.703 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.562 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.27 114.55 28.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.555 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -142.46 100.64 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.694 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.88 166.11 29.8 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -150.96 161.63 42.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.615 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 66.1 m -124.25 150.65 45.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.498 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.55 -170.35 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.646 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 96.3 p -78.94 160.76 27.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.41 139.03 28.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.764 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.86 128.95 11.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.27 -52.8 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.328 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.73 -159.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.208 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.28 53.38 25.91 Favored Glycine 0 C--O 1.224 -0.488 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.269 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.12 -176.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.211 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.48 -60.16 0.82 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.079 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -151.57 -70.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.685 0.279 . . . . 0.0 111.165 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -109.53 147.66 32.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.808 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.46 134.22 32.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.623 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.81 153.0 43.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.407 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.56 -167.0 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.666 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.51 153.68 28.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -74.3 -33.55 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.443 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.99 -169.64 42.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.38 135.23 52.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.686 0.279 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 92.4 p -161.83 -169.01 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.942 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.73 115.32 19.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.232 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.5 102.11 14.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.62 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.78 130.84 53.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -159.31 0.07 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.97 44.3 0.55 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.04 -112.04 0.45 Allowed Glycine 0 C--N 1.338 0.646 0 N-CA-C 111.617 -0.593 . . . . 0.0 111.617 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 69.1 p -130.83 123.63 29.51 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.57 168.78 21.1 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.358 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.01 116.11 15.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.817 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.11 162.45 49.2 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.413 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -27.46 102.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.229 0 C-N-CA 124.658 3.572 . . . . 0.0 115.219 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -58.82 112.01 1.49 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.07 106.04 0.32 Allowed Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 75' ' ' TYR . . . . . 0.423 ' OH ' HG21 ' C' ' 78' ' ' THR . 1.7 t80 69.89 92.65 0.08 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.861 0.362 . . . . 0.0 111.233 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.65 -94.28 0.35 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 86.0 p -91.49 155.21 18.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 0.0 110.999 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 78' ' ' THR . . . . . 0.424 HG21 ' OH ' ' E' ' 75' ' ' TYR . 12.2 m -119.57 108.49 14.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.585 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.38 113.33 2.19 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.14 92.67 0.36 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -58.9 -167.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.56 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.94 -46.73 2.47 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.14 127.54 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.898 0.38 . . . . 0.0 110.63 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.72 97.84 2.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.069 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.97 120.19 30.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.711 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 27.0 t -138.17 154.1 49.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 90.5 p -138.4 146.25 41.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.134 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.19 -172.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.079 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.39 160.63 4.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.651 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t -162.96 143.86 9.62 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.21 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.11 81.18 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.984 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.23 55.54 0.02 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.93 116.55 30.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.691 0.281 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -132.52 132.87 43.09 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.671 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.91 125.37 25.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.662 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m 51.93 34.48 13.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.698 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.504 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -108.39 114.21 27.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -142.14 100.08 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.62 166.0 29.66 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -150.93 161.59 42.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.546 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m -124.21 150.6 45.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.452 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.49 -170.32 3.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.624 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 95.5 p -78.87 160.52 27.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 13.1 t -144.31 138.61 28.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.741 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -150.13 129.81 13.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 47' ' ' THR . . . . . 0.415 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -84.61 -49.41 8.58 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.785 -178.754 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 48' ' ' SER . . . . . 0.415 ' N ' HG22 ' E' ' 47' ' ' THR . 10.3 t -130.77 -159.17 0.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.718 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.55 48.28 44.63 Favored Glycine 0 C--O 1.219 -0.835 0 C-N-CA 118.848 -1.644 . . . . 0.0 111.876 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 55.4 -175.61 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.572 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.06 -57.47 0.81 Allowed Glycine 0 CA--C 1.519 0.322 0 C-N-CA 119.724 -1.226 . . . . 0.0 111.261 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -152.23 -74.15 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -108.54 147.21 32.08 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.859 0.725 . . . . 0.0 110.144 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.03 134.52 33.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.799 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.7 153.11 42.84 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.65 0.594 . . . . 0.0 110.482 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.6 -167.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.585 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 87.9 p -80.43 153.63 28.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.25 -33.58 63.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.466 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.01 -169.57 42.51 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.39 135.27 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.695 0.284 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 93.3 p -161.89 -169.04 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.938 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.63 115.12 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.358 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -94.31 101.81 13.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.733 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -121.5 130.58 53.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.646 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.14 -161.82 0.07 OUTLIER Glycine 0 CA--C 1.525 0.673 0 O-C-N 124.217 0.948 . . . . 0.0 111.322 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.32 45.31 0.55 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.426 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.0 -112.27 0.48 Allowed Glycine 0 N--CA 1.47 0.901 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 71.2 p -131.05 123.12 28.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.147 0.499 . . . . 0.0 109.929 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.52 168.61 21.5 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.115 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 40.0 t -134.21 117.06 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.564 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.27 162.93 47.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.245 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 72' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' F' ' 73' ' ' GLN . 92.8 Cg_exo -31.93 107.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.588 2.859 . . . . 0.0 114.104 -176.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -61.75 114.09 3.12 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.254 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.47 104.81 0.29 Allowed Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 75' ' ' TYR . . . . . 0.424 ' OH ' HG21 ' D' ' 78' ' ' THR . 1.6 t80 71.94 90.24 0.09 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.607 178.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.47 -92.16 0.38 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 120.594 -0.813 . . . . 0.0 111.934 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 85.3 p -92.53 154.78 18.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 111.035 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 78' ' ' THR . . . . . 0.42 HG21 ' OH ' ' F' ' 75' ' ' TYR . 11.6 m -119.24 107.62 13.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.782 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.88 113.27 2.23 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.11 92.0 0.34 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -58.67 -165.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.59 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.12 -44.42 2.82 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 169.71 127.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.282 0.563 . . . . 0.0 110.44 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 69.4 m -148.9 96.6 2.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.351 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.36 119.18 28.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.749 0.309 . . . . 0.0 110.68 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 26.7 t -137.9 154.07 49.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.41 146.18 41.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.148 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.37 -173.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.065 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -170.27 161.37 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.591 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -162.8 144.07 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.417 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -145.88 80.94 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.987 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.3 55.45 0.02 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -96.39 116.35 28.9 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.948 -0.148 . . . . 0.0 111.161 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.49 132.93 43.2 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.242 0.339 . . . . 0.0 110.75 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.55 125.39 25.64 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.507 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 72.8 m 51.9 34.55 13.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.494 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.29 114.63 28.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.55 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 42.7 t -142.49 100.68 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.653 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.02 166.01 29.86 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -150.88 161.5 42.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 110.716 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 66.5 m -124.14 150.67 44.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.509 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.56 -170.36 3.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.583 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 96.0 p -78.93 160.61 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.3 139.07 28.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.702 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.83 129.11 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.637 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.44 -52.74 6.94 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.348 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.81 -159.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.15 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.22 53.6 25.0 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.255 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.08 -175.82 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.079 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.59 -60.21 0.82 Allowed Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.59 -70.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.717 0.294 . . . . 0.0 111.118 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 46.6 t -109.42 147.68 32.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.49 134.36 32.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.546 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.92 153.01 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.53 -167.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.578 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 88.4 p -80.48 153.6 28.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -74.29 -33.5 63.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.406 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.06 -169.57 42.44 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.43 135.29 52.92 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.433 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 90.9 p -161.8 -168.94 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.006 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.8 115.24 19.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.335 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.45 102.02 13.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.68 130.86 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -159.22 0.07 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.01 44.32 0.56 Allowed 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.96 -112.09 0.45 Allowed Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 69.2 p -130.82 123.7 29.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.59 168.83 20.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.31 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.03 116.12 15.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.846 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.04 162.52 49.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.348 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -27.52 102.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.223 0 C-N-CA 124.642 3.561 . . . . 0.0 115.193 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 73' ' ' GLN . . . . . 0.423 ' HA ' ' HA ' ' E' ' 72' ' ' PRO . 87.7 mm-40 -58.84 112.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.911 0.386 . . . . 0.0 110.008 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.88 106.13 0.31 Allowed Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 75' ' ' TYR . . . . . 0.42 ' OH ' HG21 ' E' ' 78' ' ' THR . 1.6 t80 69.76 92.75 0.08 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.991 0.424 . . . . 0.0 111.285 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.76 -94.07 0.36 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 85.8 p -91.64 155.22 18.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.773 0.321 . . . . 0.0 111.041 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 78' ' ' THR . . . . . 0.421 HG21 ' OH ' ' G' ' 75' ' ' TYR . 12.4 m -119.62 108.49 14.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.35 113.35 2.2 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.08 92.83 0.36 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -58.99 -167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.773 0.321 . . . . 0.0 110.493 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.85 -46.63 2.49 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.12 127.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.809 0.338 . . . . 0.0 110.707 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 68.1 m -148.72 97.76 2.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.103 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.9 120.25 31.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.758 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 26.9 t -138.2 154.14 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.001 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.44 146.21 41.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.211 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.16 -172.88 0.74 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.056 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.35 160.49 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.59 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t -162.89 143.86 9.73 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.149 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.13 81.12 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.978 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.19 55.6 0.02 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.87 116.55 30.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.697 0.285 . . . . 0.0 110.922 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.55 132.87 43.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.676 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.89 125.44 25.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.635 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m 51.93 34.34 13.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.752 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.525 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.35 114.59 28.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.539 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 42.6 t -142.49 100.71 3.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.651 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.02 165.98 29.86 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -150.82 161.52 42.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.334 . . . . 0.0 110.655 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m -124.11 150.7 44.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.566 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.58 -170.37 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.577 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 95.3 p -78.84 160.58 27.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.26 139.01 28.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.758 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.82 129.04 11.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.582 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.32 -52.77 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.374 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.79 -159.67 0.98 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.138 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.19 53.55 25.35 Favored Glycine 0 C--O 1.223 -0.549 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.259 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.13 -175.93 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.184 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.54 -60.11 0.82 Allowed Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.166 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.6 -70.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.699 0.285 . . . . 0.0 111.165 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 46.5 t -109.52 147.61 32.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -139.32 134.28 32.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.654 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.85 153.01 43.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.58 -167.04 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.42 153.63 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.18 -33.67 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.474 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.98 -169.52 42.52 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.53 135.23 52.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.713 0.292 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 91.6 p -161.77 -169.02 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.942 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.66 115.31 19.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.276 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.45 102.04 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.671 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.61 130.78 53.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.56 -159.19 0.07 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.0 44.33 0.55 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.02 -112.14 0.46 Allowed Glycine 0 C--N 1.337 0.638 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 69.6 p -130.72 123.65 29.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.56 168.86 20.88 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.281 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -134.1 116.12 15.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.736 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.16 162.54 48.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.285 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -27.46 102.44 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.255 0 C-N-CA 124.745 3.63 . . . . 0.0 115.079 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -58.81 112.08 1.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.904 0.383 . . . . 0.0 109.986 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.06 106.11 0.32 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 75' ' ' TYR . . . . . 0.421 ' OH ' HG21 ' F' ' 78' ' ' THR . 1.6 t80 69.74 92.69 0.08 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 111.275 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.73 -94.17 0.36 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.58 155.34 18.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.967 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 78' ' ' THR . . . . . 0.422 HG21 ' OH ' ' H' ' 75' ' ' TYR . 12.7 m -119.76 108.5 14.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.485 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.38 113.36 2.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.11 92.68 0.36 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -58.92 -167.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.76 0.314 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 -46.61 2.47 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.12 127.5 0.02 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.834 0.349 . . . . 0.0 110.562 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.76 97.85 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.099 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.94 120.16 30.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.756 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 26.9 t -138.14 154.13 49.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.46 146.24 41.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.181 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.19 -172.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.029 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.34 160.56 5.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.624 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.91 143.84 9.69 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.186 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.14 81.25 1.59 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.964 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.19 55.53 0.02 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.95 116.63 30.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.72 0.295 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.53 132.84 43.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.705 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.95 125.52 25.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.623 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 72.5 m 51.82 34.39 13.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.736 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.561 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -108.32 114.61 28.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.57 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -142.46 100.67 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.681 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.96 166.05 29.84 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -150.97 161.56 42.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 0.0 110.626 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 66.4 m -124.16 150.7 44.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.46 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.59 -170.41 3.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.587 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 95.2 p -78.87 160.65 27.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.35 139.05 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.663 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.84 129.08 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.581 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.35 -52.74 6.96 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.4 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.85 -159.81 1.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.062 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.4 53.47 24.96 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.248 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.03 -175.84 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.186 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.6 -60.04 0.82 Allowed Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.082 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -151.58 -70.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.752 0.31 . . . . 0.0 111.168 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 46.5 t -109.44 147.6 32.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.44 134.18 31.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.659 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.74 152.94 43.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.454 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.48 -167.09 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.673 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 88.8 p -80.46 153.65 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.27 -33.53 63.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.467 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.07 -169.53 42.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.45 135.3 52.89 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.388 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 92.5 p -161.81 -168.89 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.001 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.81 115.29 19.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.26 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.5 102.01 13.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.8 m -121.71 130.92 53.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.65 -159.16 0.07 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.04 44.44 0.56 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.571 0.212 . . . . 0.0 111.571 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.9 -112.22 0.46 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 69.5 p -130.69 123.53 29.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.44 168.92 20.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.09 0.471 . . . . 0.0 111.282 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -134.19 116.03 14.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.844 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.06 162.44 49.38 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.296 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -27.57 102.55 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.216 0 C-N-CA 124.645 3.563 . . . . 0.0 115.11 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -58.87 112.1 1.53 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.332 0.395 . . . . 0.0 110.011 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.16 106.04 0.33 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 75' ' ' TYR . . . . . 0.422 ' OH ' HG21 ' G' ' 78' ' ' THR . 1.7 t80 69.85 92.68 0.08 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.892 0.377 . . . . 0.0 111.188 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.74 -94.08 0.36 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 85.7 p -91.5 155.22 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 111.056 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 78' ' ' THR . . . . . 0.417 HG21 ' OH ' ' I' ' 75' ' ' TYR . 12.4 m -119.63 108.54 14.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.35 113.37 2.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.1 92.73 0.36 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -59.02 -167.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.532 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.87 -46.5 2.49 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.07 127.55 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.803 0.335 . . . . 0.0 110.639 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 68.3 m -148.72 97.79 2.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.152 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.94 120.18 30.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.726 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 27.0 t -138.2 154.11 49.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 90.5 p -138.45 146.24 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.154 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.15 -172.93 0.75 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.004 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -172.23 160.63 5.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.621 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.91 143.84 9.7 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.202 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.07 81.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.934 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.1 55.58 0.02 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.91 116.64 30.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.742 0.306 . . . . 0.0 110.8 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.58 132.87 43.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.732 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.88 125.42 25.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.636 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 72.8 m 51.85 34.38 13.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.502 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.28 114.5 28.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 42.9 t -142.44 100.84 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.667 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.11 165.92 29.89 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -150.82 161.6 42.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.693 0.282 . . . . 0.0 110.676 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 66.6 m -124.12 150.7 44.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.493 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.51 -170.4 3.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.69 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 95.0 p -78.84 160.79 27.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.064 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -144.56 138.98 27.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.757 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -150.68 130.19 13.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.547 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -82.78 -52.82 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.065 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 10.9 t -131.82 -159.62 0.98 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.25 53.5 25.4 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.331 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.12 -175.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.057 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.74 -60.08 0.81 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.67 -70.98 0.16 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.707 0.289 . . . . 0.0 111.119 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -109.6 147.11 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.852 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -138.89 134.24 32.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.725 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.77 153.02 43.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.439 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.46 -167.35 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.628 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 89.7 p -80.19 153.7 28.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -74.39 -33.46 63.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.451 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.15 -169.54 42.29 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.47 135.46 53.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.723 0.297 . . . . 0.0 110.281 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 90.0 p -162.04 -169.13 2.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.952 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.68 115.22 19.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.359 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.47 101.97 13.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.685 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -121.29 131.12 54.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.86 -159.03 0.07 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -79.11 45.46 0.63 Allowed 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.873 -0.193 . . . . 0.0 111.394 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.1 -112.02 0.39 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 63.6 p -130.6 123.93 30.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.96 168.95 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.169 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 40.7 t -134.22 115.99 14.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.861 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.69 162.54 50.02 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -28.25 103.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 124.603 3.535 . . . . 0.0 114.74 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -59.05 112.55 1.72 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.857 0.36 . . . . 0.0 110.036 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.19 106.13 0.33 Allowed Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 75' ' ' TYR . . . . . 0.56 ' HE2' ' HG1' ' I' ' 78' ' ' THR . 1.7 t80 69.86 92.87 0.08 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.673 0.273 . . . . 0.0 111.037 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.75 -93.61 0.37 Allowed Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 85.8 p -91.69 155.41 18.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.832 0.348 . . . . 0.0 110.982 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 78' ' ' THR . . . . . 0.56 ' HG1' ' HE2' ' I' ' 75' ' ' TYR . 14.2 m -119.61 108.26 14.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.559 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.99 113.46 2.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.14 92.8 0.36 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -59.0 -167.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.943 0.402 . . . . 0.0 110.468 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.05 -46.32 2.45 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.04 127.63 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.855 0.359 . . . . 0.0 110.53 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -148.86 97.72 2.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.203 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.86 120.17 30.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.73 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -138.24 153.86 49.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 90.1 p -138.23 146.15 42.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.102 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.38 -173.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.962 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -171.26 160.76 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.729 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 30.5 t -162.83 144.04 9.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.848 0.356 . . . . 0.0 111.264 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -146.46 82.36 1.59 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.805 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 162.39 55.53 0.02 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.89 116.4 30.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.53 132.83 43.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.689 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.89 125.49 25.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 72.4 m 51.83 34.48 13.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.742 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.487 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -114.17 134.14 55.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.641 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.7 94.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.49 142.99 13.31 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -119.07 38.72 3.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.459 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.2 t -56.3 140.3 45.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.539 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -105.65 -167.8 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.45 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -58.18 131.91 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.979 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.6 m -118.01 130.43 56.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.184 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -143.1 121.78 12.57 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.465 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 47' ' ' THR . 1.6 t -86.18 -39.09 17.0 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.975 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -133.64 175.09 9.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.943 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.12 70.12 1.22 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 30.99 71.85 0.07 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.069 0.511 . . . . 0.0 112.305 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.25 94.49 0.12 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.05 91.6 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.3 t -149.43 146.02 27.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.783 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -127.57 121.45 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.618 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -71.77 -29.45 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.29 -161.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -57.94 138.88 55.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.394 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.75 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.78 -179.13 52.79 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.81 95.27 9.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.3 154.95 37.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -50.07 126.2 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -135.25 102.58 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.9 p -100.63 146.26 27.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.1 0.476 . . . . 0.0 110.632 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.12 -160.49 0.55 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.73 -46.16 14.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.965 0.412 . . . . 0.0 110.941 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.82 -102.84 2.41 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.404 HG21 ' HB2' ' A' ' 96' ' ' SER . 24.6 p -112.81 116.63 30.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.144 0.497 . . . . 0.0 110.345 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -169.21 143.86 3.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.973 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.5 m -110.16 127.66 55.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.06 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.38 169.11 16.09 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -49.33 105.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.193 1.928 . . . . 0.0 113.024 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -67.22 112.64 4.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.932 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.04 116.14 0.23 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.44 ' HB3' ' NE2' ' A' ' 88' ' ' GLN . 5.0 t80 58.83 87.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.187 0.518 . . . . 0.0 110.88 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.22 88.37 0.77 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.22 125.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.42 ' O ' HG22 ' A' ' 78' ' ' THR . 1.0 OUTLIER -81.22 114.75 20.24 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.21 0.529 . . . . 0.0 109.747 178.787 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.25 -88.23 0.21 Allowed Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.58 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.18 134.26 10.01 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -81.19 -167.99 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.63 0.253 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.12 -46.07 1.24 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 171.24 131.54 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.732 0.301 . . . . 0.0 110.667 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.39 -71.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.997 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 48.69 70.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.102 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.1 t -135.81 133.2 37.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.879 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.0 m -121.6 151.21 40.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.377 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.44 ' NE2' ' HB3' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -175.38 -173.52 0.65 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.961 -179.455 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -167.53 160.56 13.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.749 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.7 t -163.82 131.19 3.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.94 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -145.15 92.97 2.32 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 157.62 40.93 0.02 OUTLIER Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.48 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -97.5 133.72 41.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.681 0.277 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.42 137.29 35.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.913 0.387 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.75 130.08 31.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.166 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.404 ' HB2' HG21 ' A' ' 68' ' ' THR . 47.9 t 58.14 51.43 8.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.492 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.496 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -114.12 134.13 55.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.72 94.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.42 143.01 13.37 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -118.88 38.14 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.49 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -55.78 140.32 42.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -105.65 -167.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.8 m -58.43 131.87 52.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.993 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -117.85 130.66 56.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.215 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -143.33 121.81 12.43 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.403 ' H ' HG22 ' B' ' 47' ' ' THR . 1.7 t -86.49 -39.09 16.62 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.684 -0.407 . . . . 0.0 111.917 -179.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.53 175.48 9.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.952 0.406 . . . . 0.0 110.939 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.62 71.9 0.87 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.24 72.43 0.05 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.69 94.48 0.14 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.25 91.4 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 45.2 t -149.43 145.85 27.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.843 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.7 t -127.6 121.46 30.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.604 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.4 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.29 -161.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -57.98 138.94 55.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.378 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.74 152.81 28.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.82 -179.15 52.79 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.76 95.2 8.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.966 0.412 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 77.6 p -151.32 154.5 36.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.59 126.14 12.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.27 102.36 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.611 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.25 146.61 26.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.709 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.48 -160.4 0.63 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.85 -46.13 15.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.723 0.297 . . . . 0.0 110.748 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.89 -103.19 2.46 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.411 HG21 ' HB2' ' B' ' 96' ' ' SER . 24.8 p -112.29 116.63 30.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.813 0.339 . . . . 0.0 110.417 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.15 143.86 3.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.15 127.67 55.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.091 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.44 169.02 16.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.051 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -49.42 103.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.4 2.067 . . . . 0.0 113.31 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.99 112.82 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.638 0.586 . . . . 0.0 110.338 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.97 116.34 0.23 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.437 ' HB3' ' NE2' ' B' ' 88' ' ' GLN . 4.6 t80 58.72 87.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.737 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.29 88.62 0.78 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.43 124.11 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.426 ' O ' HG22 ' B' ' 78' ' ' THR . 1.0 OUTLIER -79.89 114.72 19.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.186 178.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.99 -88.26 0.2 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.08 134.4 9.73 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -81.36 -168.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.689 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.23 -45.79 1.27 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.18 131.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.736 0.303 . . . . 0.0 110.651 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 43.4 t -98.32 -71.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.073 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.71 70.66 0.44 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.034 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 13.8 t -135.79 133.2 37.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 66.1 m -121.56 151.03 40.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.337 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' GLN . . . . . 0.437 ' NE2' ' HB3' ' B' ' 75' ' ' TYR . 0.4 OUTLIER -175.28 -173.48 0.66 Allowed 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.09 -179.576 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 92.5 p -167.47 160.42 13.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.731 0.3 . . . . 0.0 110.747 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 45.8 t -163.77 131.22 3.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.16 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.14 94.29 2.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.77 41.08 0.02 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.55 133.6 41.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 0.0 110.471 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -139.47 137.22 35.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 130.12 31.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.198 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 96' ' ' SER . . . . . 0.411 ' HB2' HG21 ' B' ' 68' ' ' THR . 47.6 t 58.16 51.32 8.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.515 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.608 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -114.14 134.06 55.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.604 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.76 94.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.39 142.96 13.32 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -118.82 38.13 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.533 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 40.2 t -55.7 140.4 41.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.547 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -105.68 -167.6 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.333 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -58.54 131.84 51.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 0.0 110.985 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 91.4 m -117.73 130.58 56.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.251 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -143.3 121.74 12.4 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' THR . . . . . 0.401 ' H ' HG22 ' C' ' 47' ' ' THR . 1.7 t -86.46 -39.16 16.58 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.912 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.48 175.49 9.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.995 0.426 . . . . 0.0 110.829 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.66 71.88 0.88 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.17 72.49 0.05 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.74 94.48 0.14 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 68.23 91.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 45.4 t -149.34 145.84 27.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -127.53 121.44 30.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.634 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.33 64.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.24 -161.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.431 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 69.0 m -57.98 138.96 55.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.395 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.77 28.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.671 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.89 -179.15 52.78 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.72 95.14 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.389 . . . . 0.0 110.804 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.34 154.41 36.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.42 126.12 12.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.745 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.3 102.38 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -100.16 146.54 26.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.755 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.41 -160.34 0.61 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -46.12 15.8 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.689 0.281 . . . . 0.0 110.754 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.92 -103.23 2.46 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.408 HG21 ' HB2' ' C' ' 96' ' ' SER . 25.0 p -112.36 116.61 30.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.745 0.307 . . . . 0.0 110.378 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -169.13 144.01 3.12 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -110.24 127.63 55.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.107 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.39 169.01 16.36 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.033 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.41 102.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.446 2.098 . . . . 0.0 113.304 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.7 112.73 3.35 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.641 0.588 . . . . 0.0 110.407 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.02 116.31 0.23 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 75' ' ' TYR . . . . . 0.437 ' HB3' ' NE2' ' C' ' 88' ' ' GLN . 4.5 t80 58.72 87.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.75 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.24 88.63 0.78 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.48 124.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.428 ' O ' HG22 ' C' ' 78' ' ' THR . 1.0 OUTLIER -79.89 114.77 19.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.393 . . . . 0.0 110.262 178.869 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.06 -88.25 0.2 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.08 134.33 9.76 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.421 -0.671 . . . . 0.0 111.421 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -81.24 -168.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.719 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.3 -45.79 1.27 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.15 131.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.747 0.308 . . . . 0.0 110.664 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.36 -71.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.051 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.91 70.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.992 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.71 133.09 37.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.83 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.51 151.03 40.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.388 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 88' ' ' GLN . . . . . 0.437 ' NE2' ' HB3' ' C' ' 75' ' ' TYR . 0.4 OUTLIER -175.24 -173.51 0.67 Allowed 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.103 -179.56 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -167.41 160.39 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.759 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 45.5 t -163.75 131.32 3.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.127 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.34 94.5 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.63 41.12 0.02 OUTLIER Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.53 133.56 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 0.0 110.46 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -139.48 137.22 35.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 130.2 31.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.199 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 96' ' ' SER . . . . . 0.408 ' HB2' HG21 ' C' ' 68' ' ' THR . 47.6 t 57.97 51.43 8.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.918 0.389 . . . . 0.0 110.554 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.599 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -114.12 134.2 55.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.604 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.7 94.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.38 143.0 13.37 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -118.85 38.22 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.311 . . . . 0.0 110.408 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 40.0 t -55.86 140.48 42.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -105.74 -167.6 1.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.347 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.5 131.9 52.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.853 0.358 . . . . 0.0 110.973 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -117.99 130.34 56.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.276 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.09 121.9 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.66 -39.06 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.965 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.53 175.52 9.35 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.918 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 49' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 67.65 71.85 0.88 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 50' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' D' ' 49' ' ' GLY . 13.1 m-85 29.24 72.72 0.05 Allowed 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.96 94.47 0.14 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 68.25 91.26 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.833 0.349 . . . . 0.0 110.087 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 45.7 t -149.37 145.9 27.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -127.51 121.46 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.648 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -71.73 -29.34 64.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.17 -161.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.412 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -57.79 138.93 55.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.392 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.86 152.78 28.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.601 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.91 -179.15 52.78 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.69 95.14 8.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 110.821 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.26 154.4 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.46 126.1 12.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.672 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.23 102.44 5.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.53 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 81.4 p -100.49 146.47 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.818 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.32 -160.31 0.58 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -45.69 16.26 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.721 0.296 . . . . 0.0 110.776 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.42 -103.01 2.47 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 68' ' ' THR . . . . . 0.409 HG21 ' HB2' ' D' ' 96' ' ' SER . 25.2 p -112.39 116.52 30.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.655 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.06 144.07 3.17 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.891 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -110.26 127.76 55.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.118 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.52 169.04 16.14 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -49.44 102.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.405 2.07 . . . . 0.0 113.355 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.68 112.64 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.668 0.605 . . . . 0.0 110.41 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.01 116.2 0.23 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 75' ' ' TYR . . . . . 0.436 ' HB3' ' NE2' ' D' ' 88' ' ' GLN . 4.6 t80 58.85 87.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.898 0.38 . . . . 0.0 110.816 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.21 88.62 0.79 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.77 124.1 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 78' ' ' THR . . . . . 0.428 ' O ' HG22 ' D' ' 78' ' ' THR . 1.0 OUTLIER -80.0 114.76 19.15 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.35 178.871 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.07 -88.3 0.2 Allowed Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.11 134.4 9.8 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.23 -168.03 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.765 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.19 -45.75 1.28 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.24 131.59 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.674 0.273 . . . . 0.0 110.656 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 43.3 t -98.27 -71.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.049 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 48.83 70.53 0.45 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.048 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.72 133.21 37.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.756 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.56 150.99 40.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 88' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' D' ' 75' ' ' TYR . 0.4 OUTLIER -175.23 -173.63 0.68 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.106 -179.51 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 92.5 p -167.32 160.4 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.74 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 45.8 t -163.78 131.2 3.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.115 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.32 94.65 2.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.57 41.2 0.02 OUTLIER Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.474 -0.651 . . . . 0.0 111.474 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.55 133.59 41.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.474 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.46 137.23 35.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.65 130.2 31.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.272 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 96' ' ' SER . . . . . 0.409 ' HB2' HG21 ' D' ' 68' ' ' THR . 47.8 t 57.99 51.4 8.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.591 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.531 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -114.15 134.4 54.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.61 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t 51.21 94.49 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.411 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.68 142.97 13.22 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -118.8 38.09 3.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.757 0.313 . . . . 0.0 110.523 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -55.86 140.42 42.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -105.63 -167.6 1.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.393 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.41 131.9 52.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.927 0.394 . . . . 0.0 110.984 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 91.1 m -117.99 130.7 56.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.198 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 46' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' F' ' 46' ' ' ASP . 15.7 m-20 -143.6 122.57 12.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.106 0.955 . . . . 0.0 111.036 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -88.86 -38.94 14.19 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.076 -1.015 . . . . 0.0 111.34 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -130.86 175.53 8.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.811 0.339 . . . . 0.0 111.477 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 49' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 68.93 70.91 1.05 Allowed Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.222 177.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 50' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' E' ' 49' ' ' GLY . 14.0 m-85 26.65 76.88 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.087 0.555 . . . . 0.0 111.356 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.24 92.26 0.14 Allowed Glycine 0 CA--C 1.518 0.238 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 69.08 91.54 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.919 0.39 . . . . 0.0 110.007 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 45.5 t -149.44 145.91 27.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -127.35 121.82 32.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.489 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -71.96 -29.42 64.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.678 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.31 -161.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.387 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -58.04 138.93 55.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.84 152.73 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.703 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.84 -179.06 52.76 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.82 95.2 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 110.796 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -151.35 154.43 36.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.57 125.94 12.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.695 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -135.01 101.99 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.727 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -99.98 146.35 26.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.546 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.61 -161.99 0.59 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.56 -47.2 10.24 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.715 0.293 . . . . 0.0 110.62 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.52 -103.08 2.38 Favored Glycine 0 N--CA 1.464 0.54 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 68' ' ' THR . . . . . 0.407 HG21 ' HB2' ' E' ' 96' ' ' SER . 25.0 p -112.53 115.89 29.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.895 0.409 . . . . 0.0 110.409 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.3 144.63 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.801 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 73.6 m -110.62 128.46 55.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.972 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.92 168.68 17.14 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.117 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 72' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' F' ' 73' ' ' GLN . 61.0 Cg_exo -51.11 107.9 0.2 Allowed 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 121.059 1.173 . . . . 0.0 112.102 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -67.74 114.19 6.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.878 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.71 115.03 0.21 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 75' ' ' TYR . . . . . 0.439 ' HB3' ' NE2' ' E' ' 88' ' ' GLN . 4.6 t80 60.67 85.99 0.11 Allowed 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.787 179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -99.84 91.87 1.07 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.788 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 2.4 p 61.22 125.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.912 0.387 . . . . 0.0 111.898 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 78' ' ' THR . . . . . 0.431 ' O ' HG22 ' E' ' 78' ' ' THR . 1.0 OUTLIER -80.6 113.93 19.13 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.144 0.497 . . . . 0.0 109.915 178.785 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.99 -88.97 0.16 Allowed Glycine 0 CA--C 1.543 1.826 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.312 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -45.14 133.93 7.85 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -80.96 -167.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.69 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.9 -43.46 1.67 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 169.08 132.06 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.989 0.423 . . . . 0.0 110.346 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 43.0 t -98.48 -71.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.676 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 48.89 70.75 0.43 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.57 132.87 37.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.724 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.48 151.04 40.71 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.421 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 88' ' ' GLN . . . . . 0.439 ' NE2' ' HB3' ' E' ' 75' ' ' TYR . 0.4 OUTLIER -175.27 -173.64 0.67 Allowed 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 121.397 0.618 . . . . 0.0 111.049 -179.534 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -166.69 160.65 15.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.821 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 46.0 t -162.88 131.28 3.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.409 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -144.81 93.71 2.44 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.173 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.76 41.75 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.33 133.44 40.7 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.969 -0.136 . . . . 0.0 110.804 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.56 137.21 35.22 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.853 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.41 130.3 32.49 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.801 0.688 . . . . 0.0 110.005 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 96' ' ' SER . . . . . 0.407 ' HB2' HG21 ' E' ' 68' ' ' THR . 47.4 t 58.19 51.38 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.56 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -114.15 134.14 55.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.81 94.28 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.51 143.09 13.43 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -118.99 38.14 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.57 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -55.7 140.31 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.527 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -105.61 -167.61 1.34 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.36 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.47 131.95 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.958 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -117.85 130.67 56.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.18 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 46' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' E' ' 46' ' ' ASP . 14.6 m-20 -143.4 121.89 12.44 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.43 -39.3 16.49 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.922 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.4 175.59 9.28 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.881 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.55 72.04 0.85 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 28.88 72.63 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.83 94.36 0.14 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.27 91.38 0.09 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.831 0.348 . . . . 0.0 110.063 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 45.6 t -149.45 145.83 27.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.846 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.9 t -127.54 121.42 30.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.658 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -71.77 -29.35 64.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.3 -161.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.44 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.0 m -57.85 138.88 55.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.416 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.8 152.72 28.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.652 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.85 -179.05 52.75 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.78 95.14 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.383 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 77.6 p -151.31 154.27 36.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.44 126.19 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.68 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.4 102.46 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 81.4 p -100.06 146.82 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.955 0.407 . . . . 0.0 110.497 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.63 -160.1 0.64 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.99 -46.41 16.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.68 0.276 . . . . 0.0 110.766 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.13 -103.3 2.45 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 68' ' ' THR . . . . . 0.407 HG21 ' HB2' ' F' ' 96' ' ' SER . 25.0 p -112.2 117.0 31.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 110.312 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.38 144.05 2.98 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.32 127.62 55.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.12 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.43 169.02 16.29 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.013 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.41 102.83 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.435 2.09 . . . . 0.0 113.351 -178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 73' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' E' ' 72' ' ' PRO . 7.4 mp0 -64.57 112.68 3.27 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.76 0.663 . . . . 0.0 110.491 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.9 116.54 0.23 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 75' ' ' TYR . . . . . 0.443 ' HB3' ' NE2' ' F' ' 88' ' ' GLN . 4.5 t80 58.9 87.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.769 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.22 88.68 0.79 Allowed Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.42 124.03 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 78' ' ' THR . . . . . 0.431 ' O ' HG22 ' F' ' 78' ' ' THR . 1.0 OUTLIER -79.94 114.84 19.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.977 0.418 . . . . 0.0 110.237 178.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.93 -88.25 0.2 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.07 134.33 9.74 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.27 -168.21 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.362 . . . . 0.0 110.679 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.38 -45.8 1.27 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.16 131.6 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.781 0.324 . . . . 0.0 110.637 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 43.4 t -98.27 -71.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.063 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.83 70.57 0.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.019 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.71 133.22 37.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.798 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -121.59 151.08 40.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 88' ' ' GLN . . . . . 0.443 ' NE2' ' HB3' ' F' ' 75' ' ' TYR . 0.4 OUTLIER -175.23 -173.57 0.67 Allowed 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.142 -179.484 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -167.49 160.38 13.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.745 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 45.2 t -163.81 131.27 3.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.15 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.08 94.77 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.016 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.39 41.1 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.45 133.44 42.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.678 0.275 . . . . 0.0 110.482 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.37 137.19 35.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.956 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.69 130.17 31.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.146 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 96' ' ' SER . . . . . 0.407 ' HB2' HG21 ' F' ' 68' ' ' THR . 47.7 t 58.06 51.41 8.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.449 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.581 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -114.08 134.18 55.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.548 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.75 94.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.959 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.5 142.97 13.3 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -118.77 37.99 3.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 110.518 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -55.69 140.43 41.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.541 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -105.75 -167.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.356 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.32 131.91 52.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.055 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -117.88 130.61 56.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.183 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.39 121.84 12.41 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.6 -39.11 16.46 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.891 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.5 175.5 9.37 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.909 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.61 71.88 0.88 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.17 72.56 0.05 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.81 94.38 0.14 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 68.34 91.32 0.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 45.7 t -149.39 145.94 27.23 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.778 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.9 t -127.61 121.43 30.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -71.75 -29.38 64.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.3 -161.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.392 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.1 m -57.9 138.93 55.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.433 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.85 152.72 28.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.652 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.84 -179.02 52.74 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.86 95.19 8.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.793 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -151.35 154.32 36.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.43 126.14 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.675 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -135.3 102.47 5.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.485 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.25 146.64 26.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.665 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.55 -160.17 0.63 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.96 -46.07 16.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.719 0.295 . . . . 0.0 110.797 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.84 -103.23 2.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 68' ' ' THR . . . . . 0.408 HG21 ' HB2' ' G' ' 96' ' ' SER . 25.3 p -112.29 116.78 30.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 110.353 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.22 144.06 3.08 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 73.4 m -110.35 127.65 55.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.064 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 71' ' ' THR . . . . . 0.423 ' HA ' ' HG1' ' H' ' 71' ' ' THR . 0.0 OUTLIER -86.49 168.96 16.46 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.012 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.24 102.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.427 2.084 . . . . 0.0 113.311 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.69 112.77 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.649 0.593 . . . . 0.0 110.407 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.11 116.31 0.24 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 75' ' ' TYR . . . . . 0.436 ' HB3' ' NE2' ' G' ' 88' ' ' GLN . 4.5 t80 58.8 87.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.26 88.53 0.78 Allowed Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.7 123.97 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 78' ' ' THR . . . . . 0.433 ' O ' HG22 ' G' ' 78' ' ' THR . 1.0 OUTLIER -79.88 114.7 18.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.882 0.373 . . . . 0.0 110.225 178.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.92 -88.2 0.2 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.05 134.37 9.68 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -81.28 -168.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.684 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.32 -45.71 1.28 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.09 131.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.792 0.329 . . . . 0.0 110.613 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 43.1 t -98.42 -71.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.016 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 48.75 70.57 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.054 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.73 133.13 37.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.795 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 66.1 m -121.45 151.06 40.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 88' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' G' ' 75' ' ' TYR . 0.4 OUTLIER -175.27 -173.49 0.66 Allowed 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.013 -179.593 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -167.46 160.35 13.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.737 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 45.1 t -163.67 131.26 3.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.155 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.21 94.76 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.43 41.15 0.02 OUTLIER Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.53 133.6 41.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 110.436 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.48 137.23 35.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.65 130.11 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.301 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 96' ' ' SER . . . . . 0.408 ' HB2' HG21 ' G' ' 68' ' ' THR . 47.5 t 58.2 51.28 8.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.538 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.529 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -114.02 134.16 55.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.646 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.7 94.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.49 143.02 13.35 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -118.87 37.95 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.329 . . . . 0.0 110.491 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 40.2 t -55.57 140.36 41.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.57 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -105.62 -167.61 1.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.418 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.41 131.87 51.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 111.011 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -117.89 130.6 56.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.258 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.29 121.96 12.57 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.67 -39.16 16.32 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.855 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.52 175.42 9.44 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.907 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.73 71.9 0.87 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 29.07 72.54 0.05 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.67 94.41 0.13 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 68.19 91.29 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.862 0.363 . . . . 0.0 110.036 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 45.8 t -149.25 145.93 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.821 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -127.62 121.38 30.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.639 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.36 64.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 10.0 t 51.29 -161.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.385 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -57.97 138.99 55.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.82 152.8 28.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.626 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.98 -179.0 52.71 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.84 95.15 8.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.974 0.416 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 77.8 p -151.29 154.35 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.46 126.1 12.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.688 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.24 102.35 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.602 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.13 146.72 26.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.732 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.65 -160.21 0.66 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -46.09 15.75 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.67 0.271 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.89 -103.32 2.48 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 68' ' ' THR . . . . . 0.405 HG21 ' HB2' ' H' ' 96' ' ' SER . 25.2 p -112.27 116.81 31.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.744 0.307 . . . . 0.0 110.438 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -169.24 144.0 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.25 127.58 55.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.116 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 71' ' ' THR . . . . . 0.423 ' HG1' ' HA ' ' G' ' 71' ' ' THR . 0.0 OUTLIER -86.37 168.95 16.6 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.065 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -49.42 102.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.435 2.09 . . . . 0.0 113.297 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.55 112.76 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.755 0.659 . . . . 0.0 110.463 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.05 116.32 0.23 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 75' ' ' TYR . . . . . 0.439 ' HB3' ' NE2' ' H' ' 88' ' ' GLN . 4.4 t80 58.99 87.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 0.0 110.664 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.25 88.62 0.78 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.58 123.98 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 78' ' ' THR . . . . . 0.435 ' O ' HG22 ' H' ' 78' ' ' THR . 1.0 OUTLIER -79.8 114.79 18.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 110.257 178.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.94 -88.24 0.2 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.17 134.37 9.93 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -81.2 -168.1 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.769 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.19 -45.77 1.27 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.21 131.68 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.736 0.303 . . . . 0.0 110.688 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.42 -71.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.999 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.73 70.57 0.45 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 13.8 t -135.71 133.16 37.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.764 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -121.49 151.08 40.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.42 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 88' ' ' GLN . . . . . 0.439 ' NE2' ' HB3' ' H' ' 75' ' ' TYR . 0.4 OUTLIER -175.32 -173.6 0.66 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.057 -179.524 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 92.9 p -167.4 160.45 13.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.768 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 45.2 t -163.76 131.19 3.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.15 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.25 95.01 2.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.995 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.32 41.18 0.02 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.56 133.64 41.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 0.0 110.415 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.53 137.22 35.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.76 130.14 31.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.178 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 96' ' ' SER . . . . . 0.405 ' HB2' HG21 ' H' ' 68' ' ' THR . 47.6 t 58.07 51.39 8.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.522 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.571 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -114.08 134.11 55.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.78 94.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.54 143.05 13.37 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -118.68 37.46 4.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -55.26 140.35 39.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.574 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -105.45 -167.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.407 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.37 132.16 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.949 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 89.8 m -118.25 130.68 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.24 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -143.06 123.66 14.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.722 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -88.65 -39.19 14.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.465 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.56 175.41 9.45 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.828 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 67.73 72.01 0.86 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' I' ' 49' ' ' GLY . 13.1 m-85 28.96 73.93 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.88 94.36 0.17 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 68.05 90.97 0.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.819 0.343 . . . . 0.0 110.143 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -149.0 145.93 27.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.861 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -127.62 121.54 30.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -71.76 -29.49 64.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.572 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 10.0 t 51.34 -161.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.416 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -57.98 138.93 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.354 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.78 28.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.697 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.83 -178.97 52.71 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.84 94.99 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 78.2 p -151.12 154.36 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.6 126.22 13.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.42 102.4 5.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.492 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 81.9 p -99.91 147.06 25.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.99 -159.97 0.72 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.31 -45.85 17.73 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.431 0.158 . . . . 0.0 110.636 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.82 -103.47 2.51 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 68' ' ' THR . . . . . 0.405 HG21 ' HB2' ' I' ' 96' ' ' SER . 26.5 p -112.09 116.63 30.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.05 144.12 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.687 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -110.23 127.74 55.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.089 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 169.09 16.07 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.904 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -49.5 102.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.59 2.194 . . . . 0.0 112.984 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -64.56 113.11 3.49 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.561 0.538 . . . . 0.0 110.505 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.12 116.56 0.24 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 75' ' ' TYR . . . . . 0.435 ' HB3' ' NE2' ' I' ' 88' ' ' GLN . 4.3 t80 58.68 88.33 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.505 0.193 . . . . 0.0 110.562 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.28 89.4 0.83 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 62.84 123.98 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 78' ' ' THR . . . . . 0.444 HG22 ' O ' ' I' ' 78' ' ' THR . 1.0 OUTLIER -79.66 114.72 18.8 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.334 179.134 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.73 -88.03 0.2 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.678 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.2 134.65 9.85 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.44 -168.15 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.453 . . . . 0.0 110.631 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.29 -45.42 1.32 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.04 131.75 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.766 0.317 . . . . 0.0 110.598 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 43.1 t -98.36 -71.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.101 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.79 70.56 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.968 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.65 133.13 37.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.795 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 65.9 m -121.36 151.03 40.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 88' ' ' GLN . . . . . 0.435 ' NE2' ' HB3' ' I' ' 75' ' ' TYR . 0.4 OUTLIER -175.5 -174.28 0.7 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.048 -179.577 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 93.2 p -166.67 160.54 15.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.833 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 45.4 t -163.61 131.79 3.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 111.137 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -145.85 96.18 2.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.783 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 155.4 41.32 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.51 133.34 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.726 0.298 . . . . 0.0 110.551 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.5 137.19 35.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.847 0.356 . . . . 0.0 110.929 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.72 130.15 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.138 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 96' ' ' SER . . . . . 0.405 ' HB2' HG21 ' I' ' 68' ' ' THR . 47.4 t 58.13 51.29 8.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.572 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.619 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.708 0.29 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -141.12 115.05 9.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.742 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -118.46 127.77 53.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -148.06 124.34 10.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.105 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.19 -54.32 8.76 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.37 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.3 t -132.61 -171.48 2.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.11 68.13 1.77 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 30.15 77.84 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.214 0.596 . . . . 0.0 111.753 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.02 -62.99 3.84 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -139.05 80.42 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.833 0.349 . . . . 0.0 110.209 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.6 t -138.85 128.24 24.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.93 166.49 21.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.85 49.32 12.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.732 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.05 -39.35 89.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.399 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.8 p -151.0 159.62 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -142.35 128.69 19.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.92 -152.18 48.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -50.36 115.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.382 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.84 153.52 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.769 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -100.0 107.96 20.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.285 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.76 104.61 16.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.752 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.5 m -119.65 127.83 53.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.463 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.64 -164.77 0.46 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.78 -53.9 22.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 111.097 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.11 -93.87 0.87 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.436 HG22 ' HB2' ' A' ' 96' ' ' SER . 19.2 p -115.06 113.21 23.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.011 0.434 . . . . 0.0 110.396 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.46 143.12 3.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.072 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -107.97 124.08 49.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.415 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.4 HG22 ' CD ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -83.58 174.28 6.19 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.892 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.4 ' CD ' HG22 ' A' ' 71' ' ' THR . 76.2 Cg_exo -47.98 178.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.732 2.288 . . . . 0.0 113.818 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.39 111.72 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.285 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 113.83 -85.84 0.4 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.05 50.11 0.87 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.626 0.727 . . . . 0.0 110.809 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.13 127.79 44.14 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.48 91.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.711 0.291 . . . . 0.0 110.599 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.6 m -80.54 102.99 10.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.041 0.448 . . . . 0.0 110.346 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.16 -147.27 13.7 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.16 71.63 0.58 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -51.99 140.2 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.734 0.302 . . . . 0.0 110.974 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.59 -47.35 0.65 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.33 130.26 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.687 0.279 . . . . 0.0 110.265 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -133.95 94.2 3.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.458 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.74 99.22 7.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.279 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -147.12 -177.76 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.031 0.443 . . . . 0.0 111.324 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.5 t -155.98 135.26 12.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.75 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.39 -177.91 6.89 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.215 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.3 p -171.19 165.62 7.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t -163.43 128.71 3.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.663 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -141.34 86.79 2.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.007 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 151.05 48.31 0.02 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.46 133.24 42.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.714 0.292 . . . . 0.0 110.605 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.21 139.22 33.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.2 m -130.06 114.62 16.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.436 ' HB2' HG22 ' A' ' 68' ' ' THR . 5.8 t 65.19 85.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.618 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.616 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.714 0.293 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.95 115.04 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.822 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -118.38 127.79 54.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.668 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.07 124.38 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.335 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.38 -54.62 7.88 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.269 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.3 -171.23 2.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.962 0.41 . . . . 0.0 110.87 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 65.81 69.31 1.38 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 49' ' ' GLY . 88.0 m-85 28.74 78.33 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 O-C-N 124.12 0.541 . . . . 0.0 111.854 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.38 -62.98 3.99 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -139.02 80.37 1.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.894 0.378 . . . . 0.0 110.24 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.7 t -138.95 127.66 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 61.1 m -131.34 166.59 20.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 57.95 49.24 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.734 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -60.96 -39.42 89.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.425 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -150.9 159.7 44.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -142.45 128.68 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.586 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.85 -152.38 48.48 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.0 115.05 1.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.383 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p 175.82 153.22 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.885 0.374 . . . . 0.0 110.838 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.71 107.98 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.389 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.82 104.63 16.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.722 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -119.5 127.97 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.406 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.87 -164.59 0.48 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -53.92 22.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.723 0.297 . . . . 0.0 110.984 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.22 -94.1 0.89 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.437 HG22 ' HB2' ' B' ' 96' ' ' SER . 19.6 p -114.83 113.3 24.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 0.0 110.359 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.53 142.82 3.25 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.11 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.1 m -107.61 124.0 49.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . 0.408 HG22 ' CD ' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -83.27 174.41 6.04 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.805 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . 0.408 ' CD ' HG22 ' B' ' 71' ' ' THR . 76.5 Cg_exo -47.68 -179.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.786 2.324 . . . . 0.0 113.742 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.04 110.95 3.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.237 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.65 -85.72 0.4 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.74 49.38 0.9 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.405 0.622 . . . . 0.0 110.782 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.29 128.08 43.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 91.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.743 0.306 . . . . 0.0 110.664 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.41 102.88 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.398 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.12 -146.67 13.23 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.99 71.63 0.57 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.09 140.38 20.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.921 0.391 . . . . 0.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.52 -47.24 0.66 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.26 130.36 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.686 0.279 . . . . 0.0 110.251 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.02 94.26 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.68 98.75 6.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.59 -177.62 5.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 111.379 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -155.93 135.13 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.873 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.26 -177.77 6.8 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.468 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 87.6 p -171.28 165.56 7.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -163.39 128.87 3.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.56 88.17 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.13 48.28 0.02 OUTLIER Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.4 133.16 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.713 0.292 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.31 139.24 33.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -130.13 114.55 15.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.369 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . 0.437 ' HB2' HG22 ' B' ' 68' ' ' THR . 5.9 t 65.37 85.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.622 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.627 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.692 0.282 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.91 114.93 9.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.758 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -118.3 127.74 54.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.697 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.0 124.35 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.29 -54.67 7.82 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.39 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.26 -171.17 2.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.983 0.421 . . . . 0.0 110.905 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 65.73 69.4 1.36 Allowed Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' C' ' 49' ' ' GLY . 87.9 m-85 28.73 78.34 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.104 0.532 . . . . 0.0 111.851 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.43 -63.0 3.99 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -139.01 80.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.829 0.347 . . . . 0.0 110.176 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 20.8 t -138.85 127.58 23.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 61.5 m -131.31 166.58 20.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.96 49.31 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.78 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.07 -39.36 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 91.2 p -150.93 159.63 44.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -142.41 128.73 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.72 -152.36 48.23 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.96 115.02 1.23 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.44 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p 175.87 153.25 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.905 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.72 107.96 20.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.76 104.6 16.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 96.8 m -119.45 128.05 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.394 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.91 -164.59 0.48 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -53.98 22.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.589 0.233 . . . . 0.0 110.9 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.29 -94.1 0.88 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.437 HG22 ' HB2' ' C' ' 96' ' ' SER . 19.4 p -114.81 113.36 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.361 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.52 142.75 3.24 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.073 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 67.3 m -107.51 123.97 49.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.408 HG22 ' CD ' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -83.26 174.48 5.94 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.822 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . 0.408 ' CD ' HG22 ' C' ' 71' ' ' THR . 76.3 Cg_exo -47.7 -179.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.804 2.336 . . . . 0.0 113.682 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.15 110.99 3.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.184 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.75 -85.69 0.4 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.83 49.39 0.9 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.401 0.619 . . . . 0.0 110.782 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.29 128.12 43.42 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.2 91.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.777 0.323 . . . . 0.0 110.605 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.45 103.0 10.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.399 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.13 -146.72 13.25 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.0 71.61 0.58 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -51.97 140.43 20.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.929 0.395 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.47 -47.24 0.66 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.24 130.33 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.711 0.291 . . . . 0.0 110.268 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.94 94.25 3.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.472 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.65 98.61 6.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.342 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.48 -177.61 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.41 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -155.93 135.15 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.818 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.26 -177.89 6.89 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.463 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 87.3 p -171.21 165.53 7.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.28 128.9 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.741 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.62 88.39 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.96 48.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.44 133.14 42.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.312 . . . . 0.0 110.59 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.27 139.28 33.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.16 114.58 15.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.379 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . 0.437 ' HB2' HG22 ' C' ' 68' ' ' THR . 5.9 t 65.27 86.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.56 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 CA--C 1.526 0.038 0 CA-C-O 120.72 0.295 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 45.7 t -140.89 115.09 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m -118.53 127.66 53.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.759 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -147.93 124.34 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.421 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.46 -54.39 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.334 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.48 -171.19 2.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.96 0.41 . . . . 0.0 110.9 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 65.8 69.39 1.36 Allowed Glycine 0 CA--C 1.521 0.435 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' D' ' 49' ' ' GLY . 87.8 m-85 28.77 78.53 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.14 0.553 . . . . 0.0 111.645 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.57 -62.98 4.06 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -138.96 80.31 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.846 0.355 . . . . 0.0 110.226 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 21.6 t -138.96 127.62 23.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.951 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.26 166.64 20.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 57.9 49.34 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.725 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -61.04 -39.4 89.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.353 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 91.3 p -150.91 159.65 44.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.47 128.66 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.75 -152.36 48.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.95 115.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.376 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.76 153.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.872 0.367 . . . . 0.0 110.915 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.68 107.92 20.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.309 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.73 104.62 16.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.726 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -119.71 127.83 53.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.6 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.62 -164.56 0.44 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -53.46 27.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.581 0.229 . . . . 0.0 111.003 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.8 -93.96 0.89 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . 0.433 HG22 ' HB2' ' D' ' 96' ' ' SER . 19.3 p -114.83 113.1 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.631 0.253 . . . . 0.0 110.681 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.43 142.91 3.34 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.11 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 66.6 m -107.53 124.02 49.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.429 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . 0.408 HG22 ' CD ' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -83.36 174.5 5.9 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.81 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . 0.408 ' CD ' HG22 ' D' ' 71' ' ' THR . 77.0 Cg_exo -47.7 -179.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.787 2.325 . . . . 0.0 113.715 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . 0.402 ' H ' ' H ' ' E' ' 74' ' ' GLY . 0.6 OUTLIER -152.1 110.93 3.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.308 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.66 -85.58 0.39 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.97 49.44 0.9 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.424 0.631 . . . . 0.0 110.769 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.32 128.1 43.41 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t 50.38 91.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 110.569 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.35 102.77 9.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.13 -146.76 13.29 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 71.73 0.56 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.13 140.44 20.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.46 -47.17 0.66 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.24 130.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.725 0.298 . . . . 0.0 110.227 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.0 94.13 3.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.61 98.7 6.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.373 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.53 -177.72 5.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.98 0.419 . . . . 0.0 111.39 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.9 135.09 12.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.855 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.26 -177.92 6.9 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.443 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.09 165.51 7.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.32 128.76 3.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.64 88.42 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.0 48.52 0.02 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -97.42 133.14 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.66 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.3 139.21 33.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -130.04 114.53 15.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . 0.433 ' HB2' HG22 ' D' ' 68' ' ' THR . 5.9 t 65.38 85.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.63 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.615 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.744 0.307 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 46.0 t -140.49 115.04 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -118.46 127.92 54.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 110.651 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -148.18 125.18 11.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -77.07 -50.84 12.17 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 118.955 -1.098 . . . . 0.0 111.757 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 8.8 t -130.99 -171.07 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.098 0.475 . . . . 0.0 111.441 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 65.97 70.11 1.18 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 177.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' E' ' 49' ' ' GLY . 87.8 m-85 26.21 81.33 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 124.669 0.864 . . . . 0.0 110.841 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.15 -64.56 3.24 Favored Glycine 0 CA--C 1.518 0.232 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -138.42 81.83 1.87 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.01 0.434 . . . . 0.0 110.002 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 21.5 t -139.73 127.66 22.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.587 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -131.38 166.72 20.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.21 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 57.8 49.13 12.62 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.711 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 72.9 m -60.98 -39.35 89.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.423 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 91.3 p -150.94 159.62 44.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.41 128.66 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.59 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.82 -152.32 48.48 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.06 115.06 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.78 153.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.368 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.73 107.85 20.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.348 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.66 104.5 16.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.817 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -119.48 127.99 53.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.295 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.43 -164.81 0.43 Allowed Glycine 0 CA--C 1.524 0.607 0 O-C-N 123.892 0.745 . . . . 0.0 111.266 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.7 -54.59 17.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.649 0.261 . . . . 0.0 110.75 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.63 -94.3 0.88 Allowed Glycine 0 N--CA 1.462 0.403 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . 0.434 HG22 ' HB2' ' E' ' 96' ' ' SER . 19.4 p -114.84 113.15 23.83 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.114 0.538 . . . . 0.0 110.257 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -168.32 143.54 3.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.002 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 69.4 m -108.34 125.54 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 119.009 -0.52 . . . . 0.0 110.165 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . 0.4 HG22 ' CD ' ' E' ' 72' ' ' PRO . 0.0 OUTLIER -84.65 174.44 5.8 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 125.06 1.475 . . . . 0.0 109.265 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . 0.404 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 75.8 Cg_exo -47.84 -179.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 122.782 2.321 . . . . 0.0 113.583 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -151.83 114.12 4.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.619 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . 0.402 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 113.0 -86.62 0.43 Allowed Glycine 0 CA--C 1.534 1.278 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.1 48.94 0.9 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.294 0.569 . . . . 0.0 111.038 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.09 128.05 42.86 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t 49.79 92.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.366 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 6.9 m -81.04 103.56 10.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.229 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.44 -146.79 13.07 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.66 72.3 0.47 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -52.71 139.96 24.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.004 0.43 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.84 -44.77 0.73 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 169.02 130.75 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.875 0.369 . . . . 0.0 110.061 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.26 93.61 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.65 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.05 97.77 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.359 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.16 -177.88 5.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.002 0.43 . . . . 0.0 111.353 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -155.81 135.05 12.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.854 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.39 -178.24 7.13 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.475 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 88.3 p -170.12 165.77 9.17 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -162.81 128.99 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.34 88.07 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.799 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.12 48.85 0.02 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -96.3 132.86 41.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.467 -0.093 . . . . 0.0 110.875 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.19 139.4 33.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.9 m -129.93 114.49 15.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.261 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . 0.434 ' HB2' HG22 ' E' ' 68' ' ' THR . 5.9 t 65.29 86.11 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.727 0.642 . . . . 0.0 110.657 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.543 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.831 0.348 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 45.4 t -140.94 115.03 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -118.37 127.94 54.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.651 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -148.1 124.5 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.405 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.3 -54.77 7.55 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.31 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.23 -171.25 2.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.858 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 65.8 69.55 1.32 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' F' ' 49' ' ' GLY . 87.9 m-85 28.5 78.3 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.123 0.543 . . . . 0.0 111.919 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.3 -63.1 3.89 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -138.99 80.39 1.78 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.829 0.347 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 21.3 t -138.98 127.52 23.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 61.4 m -131.26 166.61 20.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.95 49.23 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.763 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -60.98 -39.4 89.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.413 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -150.91 159.72 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.45 128.64 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.619 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.83 -152.36 48.47 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.95 114.97 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.86 153.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.369 . . . . 0.0 110.877 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.71 108.02 20.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.301 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.88 104.52 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -119.31 128.33 54.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.21 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -164.42 0.51 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.85 -54.42 19.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.636 0.255 . . . . 0.0 110.89 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.56 -94.22 0.88 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . 0.436 HG22 ' HB2' ' F' ' 96' ' ' SER . 19.5 p -114.65 113.52 24.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.65 142.78 3.17 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 67.0 m -107.51 124.04 49.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.461 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . 0.407 HG22 ' CD ' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -83.34 174.54 5.85 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.804 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . 0.407 ' CD ' HG22 ' F' ' 71' ' ' THR . 76.3 Cg_exo -47.7 -179.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.77 2.313 . . . . 0.0 113.682 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.07 110.87 3.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.281 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.71 -85.72 0.4 Allowed Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.53 49.1 0.91 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.347 0.594 . . . . 0.0 110.804 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.16 128.2 43.36 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.08 91.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.79 0.329 . . . . 0.0 110.628 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 6.7 m -80.39 102.95 9.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.14 -146.76 13.28 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.13 71.61 0.58 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -52.02 140.39 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.921 0.391 . . . . 0.0 110.951 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.49 -47.18 0.66 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.26 130.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -133.94 94.21 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.521 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.62 98.69 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.4 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.5 -177.54 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 0.0 111.398 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -155.99 135.13 12.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.833 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.23 -177.83 6.84 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.531 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.26 165.52 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.877 0.37 . . . . 0.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.4 128.87 3.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.787 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.44 88.42 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.91 48.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.41 133.08 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.24 139.24 33.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.7 m -130.1 114.54 15.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.386 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . 0.436 ' HB2' HG22 ' F' ' 68' ' ' THR . 5.9 t 65.32 85.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.642 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.562 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.767 0.318 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -140.89 115.0 9.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -118.37 127.75 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.703 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.02 124.35 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.382 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -73.33 -54.64 7.87 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.363 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.35 -171.22 2.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.974 0.416 . . . . 0.0 110.861 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 65.76 69.29 1.39 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' G' ' 49' ' ' GLY . 87.9 m-85 28.85 78.31 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 O-C-N 124.119 0.541 . . . . 0.0 111.887 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.41 -63.0 3.98 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -139.02 80.34 1.78 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.842 0.353 . . . . 0.0 110.198 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 20.5 t -138.91 127.66 23.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.905 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.34 166.59 20.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.508 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 57.88 49.33 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.724 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 73.1 m -60.99 -39.34 89.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.488 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 91.2 p -150.96 159.66 44.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -142.44 128.65 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.83 -152.38 48.45 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.02 115.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.431 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.9 153.23 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.895 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.71 107.94 20.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.312 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.72 104.6 16.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.774 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 96.3 m -119.39 127.99 53.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.493 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.84 -164.56 0.47 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -53.98 23.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.624 0.25 . . . . 0.0 110.902 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.31 -94.06 0.88 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . 0.432 HG22 ' HB2' ' G' ' 96' ' ' SER . 19.5 p -114.92 113.36 24.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 0.0 110.38 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.56 142.81 3.23 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.086 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -107.53 124.02 49.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.397 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . 0.408 HG22 ' CD ' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -83.32 174.51 5.9 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.787 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . 0.408 ' CD ' HG22 ' G' ' 71' ' ' THR . 76.4 Cg_exo -47.65 -179.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.84 2.36 . . . . 0.0 113.694 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.15 110.91 3.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.205 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.86 -85.69 0.4 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.82 49.24 0.91 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.425 0.631 . . . . 0.0 110.798 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.24 128.19 43.48 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 91.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.786 0.327 . . . . 0.0 110.61 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.4 102.87 9.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.365 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.06 -146.7 13.3 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.03 71.65 0.57 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -52.0 140.44 20.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.887 0.375 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.45 -47.27 0.66 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 171.28 130.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.96 94.2 3.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.535 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.63 98.63 6.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.369 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.47 -177.55 5.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 111.399 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.93 135.11 12.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.803 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.26 -177.84 6.84 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.42 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.2 165.52 7.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.813 0.34 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.33 128.89 3.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.57 88.49 2.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.86 48.4 0.02 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.42 133.11 42.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.586 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.26 33.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.1 m -130.11 114.54 15.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.374 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . 0.432 ' HB2' HG22 ' G' ' 68' ' ' THR . 5.9 t 65.34 85.98 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.652 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.598 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.775 0.321 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.96 115.02 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.757 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -118.36 127.8 54.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.677 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -148.02 124.4 10.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.404 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.44 -54.64 7.8 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.304 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.27 -171.22 2.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.932 0.396 . . . . 0.0 110.911 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 65.73 69.42 1.35 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' H' ' 49' ' ' GLY . 88.0 m-85 28.77 78.28 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 O-C-N 124.209 0.594 . . . . 0.0 111.83 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.39 -63.02 3.96 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -138.95 80.34 1.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.79 0.329 . . . . 0.0 110.268 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 21.3 t -138.92 127.59 23.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.918 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 62.2 m -131.33 166.65 20.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 57.89 49.27 12.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.81 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 73.0 m -61.0 -39.38 89.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.433 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 91.6 p -150.87 159.67 44.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.535 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -142.43 128.68 19.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.77 -152.29 48.4 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.04 115.0 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.408 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.87 153.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.883 0.373 . . . . 0.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.78 108.01 20.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.294 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.81 104.6 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -119.44 128.14 53.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.04 -164.54 0.5 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -54.02 22.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.569 0.223 . . . . 0.0 110.89 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.28 -94.15 0.89 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . 0.431 HG22 ' HB2' ' H' ' 96' ' ' SER . 19.6 p -114.79 113.43 24.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.58 142.88 3.23 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.05 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 67.5 m -107.67 124.05 49.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.356 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . 0.41 HG22 ' CD ' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -83.33 174.52 5.87 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.786 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . 0.41 ' CD ' HG22 ' H' ' 71' ' ' THR . 76.0 Cg_exo -47.72 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.819 2.346 . . . . 0.0 113.665 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.11 111.01 3.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.213 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.74 -85.66 0.4 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.74 49.13 0.91 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.439 0.637 . . . . 0.0 110.817 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.12 128.23 43.35 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.17 91.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.579 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.33 102.93 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.418 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.12 -146.73 13.27 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.04 71.72 0.56 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.13 140.43 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 110.902 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.48 -47.19 0.66 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.22 130.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.29 . . . . 0.0 110.259 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.96 94.16 3.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.59 98.64 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.331 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.52 -177.68 5.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.985 0.421 . . . . 0.0 111.386 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 48.1 t -155.83 135.12 12.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.808 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.28 -177.92 6.9 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.443 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 87.2 p -171.16 165.56 7.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.89 0.376 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -163.36 128.87 3.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.776 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.57 88.65 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.83 48.41 0.02 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.38 133.08 42.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.709 0.29 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.21 33.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.07 114.47 15.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.425 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . 0.431 ' HB2' HG22 ' H' ' 68' ' ' THR . 5.9 t 65.34 86.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.594 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.577 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.766 0.317 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.84 115.33 9.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -118.67 127.77 53.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -147.84 125.53 11.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.34 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -74.67 -54.61 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.063 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -132.39 -171.16 2.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.955 0.407 . . . . 0.0 110.819 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 65.72 69.39 1.36 Allowed Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' I' ' 49' ' ' GLY . 87.8 m-85 28.55 79.11 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.195 0.585 . . . . 0.0 111.734 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.96 -63.14 4.1 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -139.08 80.61 1.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.846 0.355 . . . . 0.0 110.208 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 22.2 t -139.18 127.46 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.79 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 61.3 m -131.28 166.6 20.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 57.94 49.27 12.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.73 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.04 -39.34 89.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.419 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 90.7 p -150.93 159.7 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -142.45 128.64 19.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.84 -152.28 48.55 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.24 114.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.639 0.257 . . . . 0.0 110.475 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 176.07 153.3 0.17 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -99.78 107.94 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.28 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.77 104.58 16.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.4 m -119.31 128.26 53.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.391 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.1 -164.39 0.5 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.14 -54.0 23.71 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.219 -0.192 . . . . 0.0 110.795 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.38 -94.21 0.89 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . 0.433 HG22 ' HB2' ' I' ' 96' ' ' SER . 19.9 p -114.78 113.39 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -168.58 142.91 3.24 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.8 m -107.31 124.81 50.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.346 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . 0.41 HG22 ' CD ' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -83.92 174.41 5.95 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.658 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . 0.41 ' CD ' HG22 ' I' ' 71' ' ' THR . 75.0 Cg_exo -47.98 -179.12 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.838 2.359 . . . . 0.0 113.437 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.18 111.35 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.268 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.88 -85.55 0.39 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.44 48.3 0.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.229 0.538 . . . . 0.0 110.792 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.36 128.35 41.45 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.08 91.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.814 0.34 . . . . 0.0 110.539 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.22 102.83 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.508 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.97 -146.54 13.24 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 71.71 0.56 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -52.14 140.74 20.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.046 0.451 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.37 -47.1 0.67 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 171.23 130.38 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.706 0.289 . . . . 0.0 110.236 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.02 94.22 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.524 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.62 98.53 6.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.53 -178.25 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.975 0.417 . . . . 0.0 111.373 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.24 135.19 12.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.895 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.51 -178.72 7.48 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.378 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -170.45 165.67 8.55 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -163.25 129.24 3.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.77 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -141.91 89.78 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.614 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 148.91 48.49 0.02 OUTLIER Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.32 132.94 42.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 0.0 110.587 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.2 33.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.16 114.7 16.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.347 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . 0.433 ' HB2' HG22 ' I' ' 68' ' ' THR . 5.9 t 65.23 86.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.599 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.811 0.339 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -138.46 123.16 18.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.5 m -129.77 129.36 44.0 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.5 132.07 14.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.249 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.402 HG21 ' HD3' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -81.53 -50.38 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.077 0.465 . . . . 0.0 110.922 -179.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.4 t -132.68 -154.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.218 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.29 54.22 17.76 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.813 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 52.45 -174.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.185 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.53 -54.36 1.34 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -160.63 -78.77 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.595 0.236 . . . . 0.0 110.741 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.1 m -129.67 126.25 37.9 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.901 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -100.2 126.46 46.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.443 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.65 137.71 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.667 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.0 m -132.54 104.0 6.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.48 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.76 110.78 22.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.671 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.97 174.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.69 -161.5 51.22 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 52.54 -177.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.795 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.9 -33.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.39 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -123.07 105.46 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.489 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -94.76 103.98 15.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -120.47 133.28 55.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.754 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.66 -161.45 0.11 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.98 -53.85 14.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.984 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.83 -100.51 1.18 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.407 HG22 ' HB2' ' A' ' 96' ' ' SER . 19.7 p -116.15 112.79 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.98 0.419 . . . . 0.0 110.55 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.95 152.69 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.381 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -112.71 121.29 44.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.429 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.04 173.7 6.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.999 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.402 ' HD3' HG21 ' A' ' 47' ' ' THR . 81.3 Cg_exo -45.19 170.25 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.546 2.164 . . . . 0.0 113.622 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -144.95 111.28 5.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.689 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 124.56 -79.95 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.67 -61.38 1.43 Allowed 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.239 -0.184 . . . . 0.0 110.714 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.51 112.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.499 ' HA ' ' HG ' ' B' ' 77' ' ' SER . 89.3 p 47.75 91.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 m -82.03 110.35 17.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.143 0.497 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.35 -142.84 10.66 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.2 74.4 0.26 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.8 138.58 53.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.7 0.285 . . . . 0.0 110.973 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.75 -45.45 0.68 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.47 132.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.796 0.332 . . . . 0.0 110.198 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.23 95.26 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.7 91.95 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.3 p -147.52 -176.55 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.048 0.451 . . . . 0.0 111.43 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -161.93 141.44 9.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.32 -176.11 5.43 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.143 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -169.7 178.32 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.817 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.5 155.02 31.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.205 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -67.58 0.85 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.831 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.71 103.91 0.18 Allowed Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.766 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.66 159.22 21.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.687 0.279 . . . . 0.0 110.264 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -129.42 140.79 51.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -131.07 125.32 32.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.407 ' HB2' HG22 ' A' ' 68' ' ' THR . 11.8 t 59.3 -166.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.589 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.84 0.352 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -138.59 123.18 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.312 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.7 m -129.82 129.13 43.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 111.345 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.23 132.06 15.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.374 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.408 HG21 ' HD3' ' B' ' 72' ' ' PRO . 1.0 OUTLIER -81.77 -50.41 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.811 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.5 t -132.4 -153.28 0.54 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.33 56.36 12.24 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.364 -0.922 . . . . 0.0 111.446 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 50.35 -173.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.495 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.75 -54.52 1.3 Allowed Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -160.73 -79.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.592 0.234 . . . . 0.0 110.63 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.8 m -129.46 126.33 38.47 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.083 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 71.1 m -100.09 126.22 46.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.61 47.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.674 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m -132.53 103.88 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 40.2 t -108.56 110.72 22.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.92 174.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.809 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.59 -161.42 51.05 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.66 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.971 0.415 . . . . 0.0 110.772 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.94 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.357 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -122.94 105.4 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.556 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.74 103.94 15.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.552 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -120.26 133.38 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.744 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.63 -161.34 0.1 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.18 -53.92 15.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.613 0.244 . . . . 0.0 110.812 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.94 -100.65 1.19 Allowed Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.507 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.41 HG22 ' HB2' ' B' ' 96' ' ' SER . 20.1 p -115.82 112.68 22.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.597 0.237 . . . . 0.0 110.64 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.01 152.26 5.1 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.406 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -112.25 121.21 44.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.369 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.66 173.91 6.72 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.916 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 85.9 Cg_exo -45.01 171.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.629 2.219 . . . . 0.0 113.395 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.411 ' H ' ' H ' ' C' ' 74' ' ' GLY . 6.6 mp0 -146.68 110.55 4.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.845 -1.071 . . . . 0.0 108.64 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.18 -79.69 0.36 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.5 -61.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.715 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.65 113.17 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.499 ' HG ' ' HA ' ' A' ' 77' ' ' SER . 90.5 p 47.7 91.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.926 0.393 . . . . 0.0 110.754 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 41.4 m -81.77 110.28 16.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.401 . . . . 0.0 110.964 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.47 -142.45 10.43 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.1 74.54 0.25 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.97 138.82 53.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.916 0.388 . . . . 0.0 110.978 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.69 -45.31 0.69 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.38 132.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.771 0.319 . . . . 0.0 110.249 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.21 95.3 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.6 91.57 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.269 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 59.2 p -147.06 -176.5 5.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.035 0.445 . . . . 0.0 111.482 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 47.2 t -161.9 141.37 9.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.009 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.33 -175.98 5.35 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.313 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 22.5 t -169.74 178.25 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 154.82 31.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.278 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.99 -67.55 0.85 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.79 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.73 103.7 0.18 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.659 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.48 159.04 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.649 0.261 . . . . 0.0 110.407 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.32 140.85 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.7 m -131.04 125.4 33.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.32 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . 0.41 ' HB2' HG22 ' B' ' 68' ' ' THR . 11.7 t 59.12 -166.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.586 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 66.1 t80 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.521 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.877 0.37 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -138.7 123.15 18.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.247 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -129.75 129.08 43.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 111.405 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.26 132.13 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.332 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . 0.408 HG21 ' HD3' ' C' ' 72' ' ' PRO . 1.0 OUTLIER -81.74 -50.56 9.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.872 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -132.41 -153.24 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.3 56.33 12.4 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.514 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 50.4 -173.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.551 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.87 -54.52 1.29 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.74 -79.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.547 0.213 . . . . 0.0 110.575 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 70.9 m -129.3 126.41 38.94 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.093 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 71.7 m -100.25 126.25 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.69 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.643 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 62.6 m -132.56 103.88 6.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.516 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.58 110.76 22.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.778 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.88 174.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.42 51.25 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.58 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.382 . . . . 0.0 110.792 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 4.3 t -171.87 -33.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.359 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -122.99 105.49 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -94.91 103.93 15.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.25 133.4 55.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.73 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.76 -161.33 0.11 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -53.99 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.608 0.242 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.05 -100.63 1.18 Allowed Glycine 0 CA--C 1.523 0.539 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.443 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.412 HG22 ' HB2' ' C' ' 96' ' ' SER . 20.1 p -115.91 112.83 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.633 0.254 . . . . 0.0 110.621 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.09 152.29 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.371 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -112.23 121.25 44.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.392 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.74 173.99 6.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.813 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . 0.414 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 87.3 Cg_exo -45.0 172.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.716 2.278 . . . . 0.0 113.312 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . 0.408 ' H ' ' H ' ' D' ' 74' ' ' GLY . 6.5 mp0 -146.89 110.54 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.61 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . 0.411 ' H ' ' H ' ' B' ' 73' ' ' GLN . . . 125.22 -79.57 0.36 Allowed Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 -178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.69 -61.4 1.43 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.724 0.297 . . . . 0.0 110.686 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.76 113.18 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . 0.497 ' HA ' ' HG ' ' D' ' 77' ' ' SER . 90.3 p 47.6 91.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.972 0.415 . . . . 0.0 110.748 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 41.8 m -81.79 110.45 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.409 . . . . 0.0 110.964 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.42 -142.57 10.5 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.18 74.58 0.24 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.96 138.86 53.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.961 0.41 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.62 -45.3 0.69 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.67 0.271 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 70.3 m -128.16 95.2 4.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.66 91.59 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.244 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 59.1 p -147.01 -176.53 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 111.479 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -161.89 141.47 9.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.004 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.34 -176.07 5.4 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.367 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 22.5 t -169.65 178.24 4.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.915 0.388 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.32 154.98 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.212 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -67.61 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.761 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.67 103.67 0.18 Allowed Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.613 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.57 159.07 21.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.656 0.265 . . . . 0.0 110.373 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.43 140.79 51.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.04 125.3 32.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.341 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . 0.412 ' HB2' HG22 ' C' ' 68' ' ' THR . 11.6 t 59.29 -166.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.619 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.579 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.8 0.333 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -138.66 123.12 18.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.38 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -129.79 128.93 43.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.349 . . . . 0.0 111.428 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.09 132.1 15.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.311 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . 0.409 HG21 ' HD3' ' D' ' 72' ' ' PRO . 1.0 OUTLIER -81.84 -50.63 9.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 110.693 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 15.6 t -132.26 -153.21 0.54 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.5 56.25 12.32 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.492 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' E' ' 49' ' ' GLY . 35.2 m-85 50.41 -173.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.453 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.9 -54.48 1.29 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.78 -79.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 110.566 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -129.32 126.41 38.91 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.065 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.26 126.09 46.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.563 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.4 137.62 46.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.753 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 62.5 m -132.46 103.79 6.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 40.4 t -108.52 110.74 22.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.795 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.9 174.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.65 -161.38 51.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.57 -177.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.779 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -172.07 -33.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.05 105.39 9.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.547 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -94.91 104.03 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -120.5 133.24 55.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.62 -161.36 0.1 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.06 -53.68 15.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.661 0.267 . . . . 0.0 110.932 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.64 -100.53 1.2 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . 0.41 HG22 ' HB2' ' D' ' 96' ' ' SER . 19.9 p -115.86 112.6 22.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.616 0.246 . . . . 0.0 110.894 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.07 152.41 5.11 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.387 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -112.34 121.42 44.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.329 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.88 173.93 6.65 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.773 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . 0.417 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 84.8 Cg_exo -45.01 172.01 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.596 2.197 . . . . 0.0 113.361 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . 0.444 ' H ' ' H ' ' E' ' 74' ' ' GLY . 6.5 mp0 -146.9 110.51 4.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.696 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . 0.408 ' H ' ' H ' ' C' ' 73' ' ' GLN . . . 125.17 -79.6 0.36 Allowed Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.159 -1.177 . . . . 0.0 110.159 -178.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.64 -61.58 1.41 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.687 0.279 . . . . 0.0 110.665 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.89 113.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . 0.497 ' HG ' ' HA ' ' C' ' 77' ' ' SER . 89.7 p 47.76 91.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.902 0.382 . . . . 0.0 110.738 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 41.2 m -81.64 110.35 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.891 0.377 . . . . 0.0 111.029 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.62 -142.58 10.42 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.17 74.64 0.24 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.84 138.81 52.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.87 0.366 . . . . 0.0 111.081 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.61 -45.14 0.7 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.28 132.48 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.761 0.315 . . . . 0.0 110.226 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -128.1 95.12 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.609 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.56 91.62 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.209 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 58.8 p -147.02 -176.5 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.069 0.461 . . . . 0.0 111.444 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 47.3 t -161.9 141.38 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.973 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.31 -176.1 5.42 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.325 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 22.7 t -169.6 178.21 4.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.888 0.375 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.33 154.93 31.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.185 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.24 -67.39 0.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.804 -0.359 . . . . 0.0 111.838 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.72 103.6 0.18 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.601 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.5 159.04 21.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.671 0.272 . . . . 0.0 110.38 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.38 140.75 51.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.342 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.06 125.24 32.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.305 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . 0.41 ' HB2' HG22 ' D' ' 68' ' ' THR . 11.8 t 59.31 -166.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.472 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.849 0.356 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -138.64 123.16 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.299 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 97.4 m -129.86 128.98 43.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 111.359 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -150.03 132.8 15.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.331 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . 0.404 HG21 ' HD3' ' E' ' 72' ' ' PRO . 1.0 OUTLIER -84.12 -48.3 10.0 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 119.719 -0.792 . . . . 0.0 111.231 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 14.8 t -130.83 -152.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 70.67 49.0 32.27 Favored Glycine 0 C--N 1.343 0.931 0 C-N-CA 118.107 -1.997 . . . . 0.0 112.585 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 53.94 -174.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.377 0.588 . . . . 0.0 109.854 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.49 -53.79 1.3 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -160.62 -81.57 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 68.0 m -128.64 127.18 41.7 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.295 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 73.5 m -101.74 126.22 48.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.112 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.62 47.12 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.662 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 62.5 m -132.52 103.87 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.564 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.65 110.85 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 55.8 174.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.77 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.35 51.3 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.47 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.88 -33.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.361 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -123.06 105.4 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.8 103.87 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.602 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 97.8 m -120.21 133.36 55.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.56 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.07 -162.13 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.49 -54.59 11.1 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.677 0.275 . . . . 0.0 110.558 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.2 -100.51 1.16 Allowed Glycine 0 CA--C 1.522 0.525 0 CA-C-O 119.266 -0.741 . . . . 0.0 111.513 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . 0.411 HG22 ' HB2' ' E' ' 96' ' ' SER . 19.9 p -116.07 112.05 21.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.687 0.875 . . . . 0.0 110.48 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.34 152.9 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.33 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 95.3 p -112.87 122.68 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 119.178 -0.439 . . . . 0.0 110.18 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.0 173.9 6.5 Favored Pre-proline 0 C--N 1.327 -0.397 0 O-C-N 124.895 1.372 . . . . 0.0 109.351 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . 0.417 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 88.1 Cg_exo -45.01 171.91 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.632 2.221 . . . . 0.0 113.29 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . 0.405 ' H ' ' H ' ' F' ' 74' ' ' GLY . 6.2 mp0 -146.54 114.08 6.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . 0.444 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 122.62 -81.64 0.35 Allowed Glycine 0 CA--C 1.541 1.666 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -177.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.82 -60.08 1.6 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.824 0.312 . . . . 0.0 111.022 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.11 113.45 0.01 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . 0.496 ' HG ' ' HA ' ' D' ' 77' ' ' SER . 93.6 p 46.61 93.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.136 0.493 . . . . 0.0 110.418 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 42.1 m -82.64 110.68 17.92 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.68 -142.19 10.22 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.91 74.62 0.24 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -57.32 138.63 54.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.916 0.388 . . . . 0.0 111.005 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.89 -43.37 0.75 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 169.23 132.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.85 0.357 . . . . 0.0 110.096 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 70.0 m -128.38 94.75 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.7 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.08 90.71 3.4 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.741 0.651 . . . . 0.0 110.265 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 59.4 p -146.66 -176.81 5.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.016 0.436 . . . . 0.0 111.469 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 47.3 t -161.73 141.37 10.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.962 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.37 -176.12 5.43 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.317 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -169.38 178.6 4.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.88 0.371 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.23 154.83 31.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.143 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -66.04 0.95 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.05 101.71 0.16 Allowed Glycine 0 C--N 1.34 0.794 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.833 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -82.48 159.11 22.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 0.0 110.321 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.39 140.77 51.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -130.91 125.19 32.86 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.175 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . 0.411 ' HB2' HG22 ' E' ' 68' ' ' THR . 11.9 t 59.61 -166.15 0.19 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.981 0.801 . . . . 0.0 110.403 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.489 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.744 0.306 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -138.68 123.21 18.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.273 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 97.1 m -129.98 129.26 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.971 0.415 . . . . 0.0 111.246 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.27 132.16 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.348 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . 0.407 HG21 ' HD3' ' F' ' 72' ' ' PRO . 1.0 OUTLIER -81.76 -50.52 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.813 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -132.38 -153.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.32 56.38 12.18 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.472 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 50.35 -173.93 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.642 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.71 -54.51 1.31 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -160.77 -78.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.565 0.221 . . . . 0.0 110.618 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -129.46 126.47 38.79 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.094 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 71.3 m -100.26 126.21 46.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.51 137.69 46.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 62.9 m -132.53 103.81 6.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 40.2 t -108.57 110.8 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.89 174.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.58 -161.43 51.01 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 52.66 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 110.737 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.92 -33.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.17 105.53 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -95.0 103.97 15.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.607 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -120.11 133.77 55.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.545 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -161.19 0.11 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.15 -54.23 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.649 0.261 . . . . 0.0 110.885 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.21 -100.84 1.18 Allowed Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.505 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . 0.409 HG22 ' HB2' ' F' ' 96' ' ' SER . 20.0 p -115.6 112.87 22.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.573 0.225 . . . . 0.0 110.529 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.1 152.38 5.07 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.374 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 97.1 p -112.34 121.23 44.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.353 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.8 173.98 6.6 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.726 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 87.8 Cg_exo -45.07 172.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.715 2.277 . . . . 0.0 113.267 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . 0.408 ' H ' ' H ' ' G' ' 74' ' ' GLY . 6.5 mp0 -146.9 110.51 4.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.598 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' E' ' 73' ' ' GLN . . . 125.21 -79.7 0.36 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.47 -61.5 1.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.786 0.327 . . . . 0.0 110.596 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.73 113.19 0.01 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . 0.494 ' HG ' ' HA ' ' E' ' 77' ' ' SER . 88.9 p 47.6 91.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.958 0.408 . . . . 0.0 110.758 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 42.3 m -81.79 110.46 17.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.997 0.427 . . . . 0.0 110.991 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.42 -142.57 10.5 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.24 74.45 0.26 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.81 138.85 52.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.842 0.353 . . . . 0.0 110.965 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.61 -45.19 0.69 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.35 132.55 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.777 0.323 . . . . 0.0 110.184 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 70.8 m -128.19 95.14 4.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.52 91.55 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.22 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 59.0 p -147.0 -176.4 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.044 0.449 . . . . 0.0 111.477 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 47.2 t -162.01 141.31 9.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.007 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.28 -175.97 5.35 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.412 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.72 178.25 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 154.9 31.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.244 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.12 -67.64 0.85 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.682 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.68 103.75 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.583 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.56 159.03 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.27 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.42 140.74 51.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -130.96 125.41 33.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.362 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . 0.409 ' HB2' HG22 ' F' ' 68' ' ' THR . 11.8 t 59.22 -166.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.518 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.808 0.337 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 44.0 t -138.62 123.27 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.234 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -129.9 129.1 43.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.95 0.405 . . . . 0.0 111.345 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.21 132.11 15.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.385 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . 0.408 HG21 ' HD3' ' G' ' 72' ' ' PRO . 1.0 OUTLIER -81.79 -50.53 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.791 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 15.8 t -132.39 -153.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.33 56.31 12.39 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.487 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 50.55 -173.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.528 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.94 -54.51 1.29 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -160.75 -79.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.599 0.238 . . . . 0.0 110.622 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 70.9 m -129.32 126.37 38.8 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.086 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.14 126.19 46.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.544 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.48 137.6 47.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.752 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 62.4 m -132.48 103.91 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.486 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.69 110.8 22.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.715 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.85 174.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.37 51.3 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.53 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.991 0.424 . . . . 0.0 110.732 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 4.3 t -171.87 -33.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.432 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -122.99 105.44 9.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.83 103.95 15.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.15 133.47 55.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.768 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.86 -161.23 0.11 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -53.96 15.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.619 0.247 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.92 -100.7 1.19 Allowed Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.486 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . 0.411 HG22 ' HB2' ' G' ' 96' ' ' SER . 20.0 p -115.83 112.76 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.666 0.27 . . . . 0.0 110.598 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.01 152.38 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.386 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -112.3 121.19 44.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.401 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.66 173.96 6.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.821 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' H' ' 72' ' ' PRO . 87.5 Cg_exo -45.09 172.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.659 2.239 . . . . 0.0 113.323 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . 0.409 ' H ' ' H ' ' H' ' 74' ' ' GLY . 6.5 mp0 -146.83 110.54 4.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.635 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . 0.408 ' H ' ' H ' ' F' ' 73' ' ' GLN . . . 125.2 -79.64 0.36 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 -178.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.54 -61.6 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.78 0.324 . . . . 0.0 110.615 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.87 113.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . 0.496 ' HA ' ' HG ' ' H' ' 77' ' ' SER . 90.4 p 47.62 91.71 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.933 0.397 . . . . 0.0 110.726 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 42.6 m -81.76 110.36 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.388 . . . . 0.0 110.92 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.39 -142.49 10.47 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.05 74.67 0.24 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.94 138.86 53.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.971 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.64 -45.28 0.69 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.4 132.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 70.3 m -128.19 95.22 4.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.52 91.45 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.256 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 58.8 p -146.89 -176.47 5.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 111.532 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -161.96 141.41 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.953 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.25 -175.94 5.35 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.38 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.74 178.24 4.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.31 154.91 31.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.313 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -67.6 0.85 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.707 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.66 103.74 0.18 Allowed Glycine 0 CA--C 1.525 0.68 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.575 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.52 159.1 21.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.594 0.235 . . . . 0.0 110.397 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.4 140.81 51.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -131.03 125.36 33.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.274 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . 0.411 ' HB2' HG22 ' G' ' 68' ' ' THR . 11.8 t 59.25 -166.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.517 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.483 179.917 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 CA--C 1.526 0.026 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -138.65 123.25 18.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.275 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -129.83 129.13 43.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.87 0.367 . . . . 0.0 111.373 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.27 132.04 15.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.381 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . 0.406 HG21 ' HD3' ' H' ' 72' ' ' PRO . 1.0 OUTLIER -81.71 -50.58 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.767 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 15.6 t -132.4 -153.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.37 56.3 12.38 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.3 -0.952 . . . . 0.0 111.551 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 50.47 -173.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.549 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.89 -54.48 1.29 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.74 -78.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.542 0.211 . . . . 0.0 110.624 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -129.36 126.48 39.0 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.037 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.31 126.18 46.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.547 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.47 137.7 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m -132.6 103.95 6.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.485 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.66 110.79 22.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.93 174.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.72 -161.39 51.37 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.54 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.788 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.9 -33.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.382 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.02 105.42 9.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.536 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.9 103.95 15.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.19 133.54 55.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.799 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.83 -161.31 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -54.04 14.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.644 0.259 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.01 -100.77 1.19 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . 0.411 HG22 ' HB2' ' H' ' 96' ' ' SER . 20.0 p -115.75 112.84 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.623 0.249 . . . . 0.0 110.627 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.09 152.27 5.04 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.366 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 97.1 p -112.14 121.13 44.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.62 173.94 6.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.843 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 85.6 Cg_exo -45.08 172.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.56 2.174 . . . . 0.0 113.365 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . 0.407 ' H ' ' H ' ' I' ' 74' ' ' GLY . 6.5 mp0 -146.86 110.62 4.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.649 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . 0.409 ' H ' ' H ' ' G' ' 73' ' ' GLN . . . 125.18 -79.73 0.36 Allowed Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.48 -61.47 1.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.87 0.367 . . . . 0.0 110.732 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.8 113.24 0.01 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . 0.496 ' HG ' ' HA ' ' G' ' 77' ' ' SER . 90.4 p 47.56 91.78 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.986 0.422 . . . . 0.0 110.693 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 42.2 m -81.73 110.44 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.932 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.46 -142.49 10.45 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.1 74.66 0.24 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.94 138.87 53.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.935 0.398 . . . . 0.0 110.936 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.6 -45.23 0.69 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.39 132.58 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.741 0.305 . . . . 0.0 110.247 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.23 95.09 4.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.619 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.49 91.52 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.293 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 58.7 p -146.92 -176.44 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.499 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -161.96 141.34 9.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.984 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.29 -176.09 5.42 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.326 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.63 178.26 4.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.32 154.9 31.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.324 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.2 -67.67 0.84 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.657 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.62 103.78 0.18 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.583 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.66 158.98 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.665 0.269 . . . . 0.0 110.363 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.29 140.83 51.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -131.09 125.36 32.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.295 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . 0.411 ' HB2' HG22 ' H' ' 68' ' ' THR . 11.8 t 59.27 -166.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.526 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.808 0.337 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -138.6 123.17 18.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.339 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 99.7 m -129.98 129.1 43.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 0.0 111.315 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.19 132.51 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.342 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . 0.405 HG21 ' HD3' ' I' ' 72' ' ' PRO . 1.0 OUTLIER -82.34 -50.95 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.588 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -131.93 -153.16 0.54 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.46 56.25 12.37 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.478 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 50.6 -173.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.528 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.14 -54.69 1.25 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.48 -78.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.644 0.259 . . . . 0.0 110.608 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 71.1 m -129.22 127.36 41.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 72.2 m -101.12 126.03 47.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.389 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.52 137.78 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.63 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -132.49 103.96 6.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.457 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 40.0 t -108.82 110.8 22.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.683 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.88 174.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.75 -161.38 51.46 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.55 -177.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 4.5 t -171.97 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.384 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -123.02 105.43 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.88 103.97 15.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -120.06 133.75 55.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.709 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.99 -161.12 0.11 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.37 -53.98 15.62 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.702 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.05 -100.73 1.19 Allowed Glycine 0 CA--C 1.524 0.613 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.385 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . 0.413 HG22 ' HB2' ' I' ' 96' ' ' SER . 20.4 p -115.79 112.86 22.61 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.249 -0.18 . . . . 0.0 110.583 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.1 152.31 5.05 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.242 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 97.2 p -112.03 122.1 46.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.223 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.33 173.71 6.88 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.609 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . 0.405 ' HD3' HG21 ' I' ' 47' ' ' THR . 89.1 Cg_exo -45.29 172.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.621 2.214 . . . . 0.0 113.243 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -146.95 110.91 5.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.674 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' H' ' 73' ' ' GLN . . . 125.2 -79.61 0.36 Allowed Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.15 -61.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.467 . . . . 0.0 110.618 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.02 113.4 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . 0.492 ' HG ' ' HA ' ' H' ' 77' ' ' SER . 92.3 p 47.49 91.85 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.907 0.384 . . . . 0.0 110.67 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 43.9 m -81.53 110.49 16.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.014 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.5 -142.36 10.37 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.23 74.59 0.24 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.94 139.19 52.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.029 0.442 . . . . 0.0 110.927 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.49 -45.21 0.7 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.37 132.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.702 0.287 . . . . 0.0 110.273 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -128.15 95.27 4.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.559 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -115.56 91.47 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.19 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 60.9 p -147.08 -177.21 5.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.07 0.462 . . . . 0.0 111.482 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -161.21 141.53 10.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.021 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.45 -176.39 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.278 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 22.2 t -169.33 178.34 4.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.26 154.7 31.12 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.307 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.27 -67.62 0.85 Allowed 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.599 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.7 103.51 0.18 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.39 -0.909 . . . . 0.0 111.504 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.4 158.85 21.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.7 0.285 . . . . 0.0 110.488 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -129.31 140.78 51.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.07 125.26 32.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.326 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . 0.413 ' HB2' HG22 ' I' ' 68' ' ' THR . 11.8 t 59.3 -166.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.542 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.487 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.88 0.371 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.87 140.31 58.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -124.9 129.53 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.425 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -148.76 126.5 11.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.359 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.5 m -67.78 -59.27 3.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.027 0.441 . . . . 0.0 111.402 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.3 t -132.63 -163.77 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.802 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.88 67.96 1.89 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 34.79 79.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.028 0.487 . . . . 0.0 111.621 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.57 -62.65 4.67 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.41 78.46 1.64 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.817 0.342 . . . . 0.0 110.15 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 t -133.75 129.25 36.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.924 0.393 . . . . 0.0 110.993 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.0 m -119.32 151.34 38.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.51 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.65 128.54 54.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.7 m -139.34 34.81 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -70.0 161.88 29.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -125.63 148.46 48.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.612 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.01 -155.67 50.97 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.91 130.39 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.49 111.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.709 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.08 122.36 24.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.47 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.49 105.06 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.595 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -120.34 129.46 53.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.411 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.96 -163.68 0.63 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.97 -55.67 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 0.0 110.954 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.27 -100.07 1.25 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -111.63 111.04 21.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 0.0 110.38 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.62 167.75 15.1 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.385 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.76 125.66 42.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.632 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 173.49 6.71 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.929 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' B' ' 72' ' ' PRO . 83.2 Cg_exo -44.5 167.39 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.463 2.109 . . . . 0.0 113.278 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.42 ' H ' ' H ' ' B' ' 74' ' ' GLY . 89.5 mm-40 -140.86 111.43 6.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.956 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.01 -84.84 0.37 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -59.04 1.93 Allowed 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.666 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.67 102.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.84 119.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.5 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m -109.65 100.03 9.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.802 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.86 -147.27 16.13 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.04 72.53 0.43 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -51.64 141.41 16.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.642 0.258 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.52 -47.57 0.67 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.74 0.305 . . . . 0.0 110.306 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.6 m -132.8 93.64 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.58 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.47 97.42 6.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.201 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.5 m -146.42 -179.84 7.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.993 0.425 . . . . 0.0 111.08 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -160.51 126.38 4.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.267 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -141.83 -178.32 5.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.713 0.292 . . . . 0.0 110.546 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -170.59 161.11 7.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.775 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.0 t -163.94 140.68 6.76 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.782 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -142.69 76.55 1.54 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.29 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.72 52.24 0.08 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -97.59 112.74 24.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.695 0.283 . . . . 0.0 110.809 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.12 125.44 33.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.369 . . . . 0.0 110.951 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.38 105.18 8.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.228 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.96 167.81 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.579 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.576 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.868 0.365 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.88 140.35 58.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -124.95 129.59 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.431 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.82 126.52 11.77 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -67.84 -59.74 3.06 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.361 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.19 -163.55 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.68 68.67 1.56 Allowed Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.92 79.26 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.017 0.48 . . . . 0.0 111.67 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.81 -62.71 4.7 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.25 78.39 1.64 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.778 0.323 . . . . 0.0 110.254 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.6 t -133.79 128.77 35.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.114 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.75 151.48 37.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.6 128.59 54.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -139.41 34.82 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.499 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.1 p -69.99 161.88 29.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.614 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.57 148.51 48.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.506 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.97 -155.67 51.01 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.9 130.49 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.61 110.71 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.685 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.79 122.38 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.571 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.45 104.89 16.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.7 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -120.17 129.6 54.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.478 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.17 -163.63 0.67 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.09 -55.62 11.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.668 0.271 . . . . 0.0 110.907 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.38 -100.32 1.27 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 22.0 p -111.23 110.89 21.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.699 0.285 . . . . 0.0 110.444 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.5 167.9 15.21 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.449 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.84 125.48 41.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.661 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.91 173.65 6.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.833 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 89.1 Cg_exo -44.35 169.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.567 2.178 . . . . 0.0 113.066 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.435 ' H ' ' H ' ' C' ' 74' ' ' GLY . 89.1 mm-40 -142.67 110.56 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.938 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . 0.42 ' H ' ' H ' ' A' ' 73' ' ' GLN . . . 123.03 -84.67 0.37 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.404 ' CZ ' ' OG ' ' B' ' 86' ' ' SER . 0.1 OUTLIER -95.83 -59.19 1.91 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.672 0.272 . . . . 0.0 110.675 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.95 103.19 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.47 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.55 100.06 9.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.8 -146.57 15.29 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.77 72.61 0.41 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.74 141.75 16.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.905 0.383 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.57 0.67 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.13 131.07 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.697 0.284 . . . . 0.0 110.308 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -132.77 93.76 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.41 97.31 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.282 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . 0.404 ' OG ' ' CZ ' ' B' ' 75' ' ' TYR . 49.9 m -146.31 -179.97 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 111.204 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.45 126.29 4.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.348 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.77 -178.4 5.65 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.696 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.4 p -170.43 161.05 7.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.819 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 40.4 t -163.7 140.77 7.1 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.93 78.22 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.61 52.28 0.07 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.62 112.72 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.18 125.5 33.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.95 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.13 8.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.226 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.96 167.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.532 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 63.1 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.575 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.901 0.381 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.98 140.32 58.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.3 m -124.83 129.55 50.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -148.81 126.57 11.81 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 23.3 m -67.82 -59.79 3.03 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.43 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.27 -163.56 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.799 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.7 68.77 1.52 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.75 79.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.03 0.488 . . . . 0.0 111.733 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.83 -62.71 4.71 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -141.26 78.41 1.64 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 16.7 t -133.82 128.67 35.19 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.178 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 68.6 m -118.72 151.5 37.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.511 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.56 128.63 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -139.47 34.71 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.493 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -69.98 161.91 29.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.6 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.64 148.48 48.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.549 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.0 -155.55 50.87 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -66.96 130.47 43.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.514 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.59 110.71 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.684 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.71 122.34 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.552 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.5 105.02 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -120.15 129.6 54.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.478 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.19 -163.58 0.67 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.08 -55.72 11.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.676 0.274 . . . . 0.0 110.854 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.4 -100.27 1.26 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -111.35 110.94 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.702 0.287 . . . . 0.0 110.405 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.46 167.97 15.22 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.41 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -126.91 125.56 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.533 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.08 173.74 6.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.732 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . 0.421 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 89.4 Cg_exo -44.34 169.11 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.578 2.185 . . . . 0.0 113.005 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . 0.431 ' H ' ' H ' ' D' ' 74' ' ' GLY . 88.9 mm-40 -142.75 110.51 5.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.925 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . 0.435 ' H ' ' H ' ' B' ' 73' ' ' GLN . . . 123.04 -84.66 0.37 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . 0.406 ' CZ ' ' OG ' ' C' ' 86' ' ' SER . 0.1 OUTLIER -95.85 -59.16 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.623 0.249 . . . . 0.0 110.714 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.02 103.18 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.61 99.96 9.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.71 -146.69 15.55 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 72.52 0.42 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.76 141.81 16.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.39 -47.51 0.68 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 110.344 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.81 93.66 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.547 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.3 97.28 6.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.325 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . 0.406 ' OG ' ' CZ ' ' C' ' 75' ' ' TYR . 50.0 m -146.31 -179.94 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.167 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -160.43 126.25 4.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.334 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.69 -178.36 5.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.729 0.299 . . . . 0.0 110.671 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.9 p -170.47 161.02 7.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.801 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.8 140.7 6.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.981 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.9 78.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.041 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.5 52.33 0.07 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -97.56 112.6 24.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.712 0.292 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.06 125.47 33.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.004 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.41 105.15 8.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.246 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.94 167.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 62.9 t80 . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.523 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.833 0.349 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -63.0 140.41 58.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -124.95 129.47 50.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.523 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.67 126.53 11.9 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.642 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 22.9 m -67.96 -59.42 3.28 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.37 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.52 -163.58 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.886 0.374 . . . . 0.0 110.772 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.76 68.83 1.49 Allowed Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.94 79.4 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.964 0.449 . . . . 0.0 111.481 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.03 -62.59 4.87 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -141.31 78.39 1.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.831 0.348 . . . . 0.0 110.225 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 17.2 t -133.88 128.73 35.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.226 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.65 151.43 37.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.5 128.54 54.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.523 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 45.3 m -139.42 34.82 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.507 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.97 161.86 29.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.617 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.57 148.48 48.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.03 -155.63 50.91 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.83 130.45 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.743 0.306 . . . . 0.0 110.464 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 28.3 t -170.61 110.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.664 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.71 122.5 24.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.456 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.66 105.01 16.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -120.43 129.36 53.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.644 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.95 -163.57 0.61 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.27 -55.15 13.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.633 0.254 . . . . 0.0 110.93 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.86 -100.04 1.27 Allowed Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.45 110.5 20.97 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.748 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.28 168.03 15.49 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.426 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.83 125.63 42.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.18 173.62 6.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.748 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' C' ' 72' ' ' PRO . 89.2 Cg_exo -44.2 169.06 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.626 2.217 . . . . 0.0 113.052 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . 0.466 ' H ' ' H ' ' E' ' 74' ' ' GLY . 89.0 mm-40 -142.75 110.45 5.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.936 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . 0.431 ' H ' ' H ' ' C' ' 73' ' ' GLN . . . 123.05 -84.52 0.37 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . 0.406 ' CZ ' ' OG ' ' D' ' 86' ' ' SER . 0.1 OUTLIER -95.87 -59.27 1.89 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.662 0.268 . . . . 0.0 110.721 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.03 103.12 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.68 119.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 0.0 110.505 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.31 99.88 9.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.82 -146.76 15.49 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.91 72.66 0.41 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -51.84 141.75 16.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.49 -47.52 0.67 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.07 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.681 0.276 . . . . 0.0 110.31 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.73 93.71 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.486 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.4 97.42 6.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.22 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . 0.406 ' OG ' ' CZ ' ' D' ' 75' ' ' TYR . 50.0 m -146.38 179.99 7.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.943 0.401 . . . . 0.0 111.121 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.36 126.27 4.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.368 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.78 -178.4 5.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.704 0.288 . . . . 0.0 110.681 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.3 p -170.39 161.04 7.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 110.759 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.76 140.53 6.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.86 78.59 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.99 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.4 52.39 0.07 OUTLIER Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.68 112.58 24.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.09 125.46 33.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.881 0.372 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.38 105.24 8.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.183 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.87 167.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.58 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 62.8 t80 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.471 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.861 0.362 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 37.8 t -62.96 140.3 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -124.91 129.68 50.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.451 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -149.1 127.67 12.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.738 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m -72.45 -54.79 8.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 118.641 -1.224 . . . . 0.0 112.054 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 5.9 t -130.99 -162.96 1.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.207 0.527 . . . . 0.0 111.427 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.18 69.91 1.16 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 31.25 81.92 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 O-C-N 124.551 0.795 . . . . 0.0 110.802 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.35 -64.24 3.77 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -140.76 80.03 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.974 0.416 . . . . 0.0 109.969 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 16.9 t -134.74 128.72 33.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 69.2 m -118.83 151.65 37.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.233 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.7 128.57 54.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 46.0 m -139.36 34.78 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -69.96 161.9 29.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.61 148.48 48.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.95 -155.69 51.04 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.85 130.51 43.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.516 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.62 110.79 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.684 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.84 122.29 23.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.42 104.59 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.739 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -119.97 129.6 54.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.287 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.89 -163.66 0.61 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.0 -56.27 9.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.649 0.261 . . . . 0.0 110.896 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.93 -100.46 1.24 Allowed Glycine 0 N--CA 1.464 0.55 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 21.7 p -111.31 110.51 21.02 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.692 0.29 . . . . 0.0 110.39 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.35 168.08 15.31 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.166 -0.614 . . . . 0.0 111.416 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 66.5 m -127.06 126.16 42.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.52 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.72 173.57 6.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 124.661 1.226 . . . . 0.0 109.392 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 88.1 Cg_exo -44.55 169.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 122.6 2.2 . . . . 0.0 112.857 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . 0.443 ' H ' ' H ' ' F' ' 74' ' ' GLY . 88.9 mm-40 -142.42 114.0 7.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.281 178.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . 0.466 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 120.81 -85.66 0.39 Allowed Glycine 0 CA--C 1.533 1.182 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' E' ' 86' ' ' SER . 0.1 OUTLIER -95.44 -58.56 2.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.002 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.73 103.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.52 120.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.063 0.459 . . . . 0.0 110.299 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.4 99.69 8.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.063 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.68 -146.47 15.32 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.6 72.89 0.37 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -52.21 141.09 19.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.86 -44.85 0.77 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 168.84 131.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.145 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -132.86 93.2 3.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.628 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -113.87 96.42 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.401 0.438 . . . . 0.0 110.29 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' E' ' 75' ' ' TYR . 49.4 m -145.89 179.92 7.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 0.0 111.165 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -160.42 126.44 4.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.404 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -142.13 -178.54 5.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.52 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 96.4 p -170.02 161.11 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.796 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 40.6 t -162.93 141.05 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.11 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.74 77.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.154 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.32 51.66 0.08 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -96.28 112.4 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -130.94 125.62 33.91 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.035 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.19 105.48 8.59 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.721 0.638 . . . . 0.0 109.755 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.81 167.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.754 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 63.2 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.556 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.848 0.356 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 37.0 t -63.03 140.3 58.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -124.81 129.65 50.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.457 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -148.88 126.67 11.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.656 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -67.82 -59.81 3.01 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.364 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.27 -163.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.803 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.56 69.04 1.4 Allowed Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.61 79.28 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.912 0.419 . . . . 0.0 111.747 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.74 -62.8 4.61 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.409 -1.077 . . . . 0.0 110.409 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -141.26 78.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 0.0 110.249 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 16.8 t -133.83 128.68 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.138 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -118.69 151.49 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.501 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.56 128.51 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.522 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -139.43 35.0 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.45 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -70.07 161.92 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -125.64 148.5 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.96 -155.64 50.99 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.86 130.5 43.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.433 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.6 110.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.662 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.9 122.55 24.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.457 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.66 104.83 16.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.72 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -119.9 129.92 54.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.2 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.4 -163.46 0.7 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.02 -56.07 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.684 0.278 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.58 -100.32 1.25 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 21.8 p -111.11 111.05 21.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.668 0.27 . . . . 0.0 110.335 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.55 168.02 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.464 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 65.9 m -126.92 125.53 41.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.614 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.06 173.65 6.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.758 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 88.8 Cg_exo -44.23 169.09 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.692 2.261 . . . . 0.0 113.036 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . 0.438 ' H ' ' H ' ' G' ' 74' ' ' GLY . 88.9 mm-40 -142.8 110.4 5.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.904 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . 0.443 ' H ' ' H ' ' E' ' 73' ' ' GLN . . . 123.15 -84.81 0.37 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . 0.41 ' CZ ' ' OG ' ' F' ' 86' ' ' SER . 0.1 OUTLIER -95.6 -59.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.625 0.25 . . . . 0.0 110.663 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.07 103.26 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.43 120.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.378 . . . . 0.0 110.488 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.46 100.03 9.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.79 -146.71 15.46 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.84 72.56 0.42 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.72 141.79 16.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.935 0.398 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.54 0.68 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.03 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.743 0.306 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 18.6 m -132.74 93.65 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.35 97.35 6.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . 0.41 ' OG ' ' CZ ' ' F' ' 75' ' ' TYR . 50.0 m -146.36 179.98 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 111.121 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -160.38 126.33 4.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.338 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.75 -178.31 5.6 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 120.696 0.284 . . . . 0.0 110.714 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -170.47 161.08 7.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.748 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.89 140.74 6.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.988 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.86 78.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.851 -0.339 . . . . 0.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.33 52.37 0.07 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.69 112.58 24.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.712 0.291 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.07 125.46 33.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.964 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.17 8.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.21 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.9 167.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.618 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 t80 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.555 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.857 0.36 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -62.94 140.21 58.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.803 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.9 m -124.78 129.54 50.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.502 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -148.77 126.49 11.79 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.588 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -67.85 -59.78 3.03 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.358 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.33 -163.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.714 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.72 68.78 1.51 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 33.84 79.29 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.974 0.455 . . . . 0.0 111.753 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.9 -62.68 4.76 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.31 78.4 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.799 0.333 . . . . 0.0 110.168 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 16.6 t -133.86 128.7 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.092 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -118.7 151.5 37.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.574 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.55 128.43 54.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 46.0 m -139.32 34.91 2.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.491 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 83.1 p -70.03 161.87 29.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -125.61 148.42 48.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.09 -155.65 50.83 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.9 130.42 43.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.53 110.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.84 122.42 24.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.541 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.53 104.96 16.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 93.3 m -120.06 129.59 54.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.462 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.23 -163.48 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.12 -55.75 11.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.708 0.289 . . . . 0.0 110.893 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.35 -100.34 1.27 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.23 110.86 21.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.671 0.272 . . . . 0.0 110.435 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.4 168.01 15.28 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.487 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 65.7 m -126.88 125.6 41.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.616 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.09 173.64 6.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.799 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . 0.42 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 89.2 Cg_exo -44.25 169.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.612 2.208 . . . . 0.0 112.992 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . 0.44 ' H ' ' H ' ' H' ' 74' ' ' GLY . 88.6 mm-40 -142.78 110.38 5.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.956 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' F' ' 73' ' ' GLN . . . 123.19 -84.6 0.37 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . 0.41 ' CZ ' ' OG ' ' G' ' 86' ' ' SER . 0.1 OUTLIER -95.8 -59.35 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.665 0.269 . . . . 0.0 110.619 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.12 103.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 110.476 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.51 99.96 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.75 -146.61 15.39 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 72.56 0.42 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -51.69 141.75 16.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.42 -47.53 0.68 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.09 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.669 0.271 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -132.76 93.64 3.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.548 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.36 97.33 6.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.293 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . 0.41 ' OG ' ' CZ ' ' G' ' 75' ' ' TYR . 50.2 m -146.28 -179.9 7.06 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.149 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.48 126.27 4.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.294 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.76 -178.35 5.62 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 95.8 p -170.43 161.07 7.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.789 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 40.2 t -163.77 140.75 7.0 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.99 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.98 78.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.27 52.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.67 112.57 24.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.04 125.46 33.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.39 105.13 8.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.199 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.95 167.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.438 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.867 0.365 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 37.4 t -62.96 140.25 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -124.79 129.64 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.435 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -148.88 126.61 11.78 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.55 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 23.2 m -67.97 -59.77 3.01 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.326 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.27 -163.53 1.35 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.913 0.387 . . . . 0.0 110.708 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.67 68.78 1.52 Allowed Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 33.81 79.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.014 0.479 . . . . 0.0 111.697 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.79 -62.77 4.66 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.24 78.43 1.64 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.786 0.327 . . . . 0.0 110.213 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 17.0 t -133.9 128.59 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.122 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.64 151.56 37.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.59 128.48 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 46.2 m -139.36 34.79 2.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.98 161.93 29.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -125.62 148.45 48.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.98 -155.65 50.98 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.91 130.49 43.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.8 0.334 . . . . 0.0 110.455 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.59 110.72 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.727 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.7 122.36 23.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.572 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.56 104.96 16.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.682 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 94.1 m -120.14 129.71 54.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.387 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.31 -163.49 0.68 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.17 -55.69 11.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.617 0.246 . . . . 0.0 110.896 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.37 -100.41 1.28 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.27 110.9 21.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.638 0.256 . . . . 0.0 110.43 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.46 168.02 15.16 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.42 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 66.0 m -126.88 125.55 41.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.616 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.04 173.61 6.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.716 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 88.7 Cg_exo -44.3 169.19 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 122.612 2.208 . . . . 0.0 113.045 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . 0.439 ' H ' ' H ' ' I' ' 74' ' ' GLY . 88.7 mm-40 -142.85 110.54 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.892 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . 0.44 ' H ' ' H ' ' G' ' 73' ' ' GLN . . . 123.19 -84.71 0.37 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' H' ' 86' ' ' SER . 0.1 OUTLIER -95.7 -59.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.633 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.02 103.32 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.42 120.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 0.0 110.489 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.45 99.92 9.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.71 -146.62 15.46 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.86 72.73 0.4 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -51.91 141.83 16.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.964 0.412 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.48 0.68 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.11 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.75 0.31 . . . . 0.0 110.297 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -132.73 93.66 3.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.38 97.34 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.242 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' H' ' 75' ' ' TYR . 49.9 m -146.3 -179.95 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.21 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -160.46 126.27 4.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.36 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.76 -178.33 5.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.703 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 96.1 p -170.51 161.03 7.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 110.789 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.77 140.67 6.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.004 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -142.94 78.88 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.996 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.22 52.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -97.67 112.49 24.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.721 0.296 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.03 125.49 33.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.944 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.37 105.22 8.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.193 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.83 167.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.547 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.848 0.356 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -62.88 140.31 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.809 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -125.02 129.55 50.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.473 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -148.54 127.83 12.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.548 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 21.9 m -69.43 -59.5 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.084 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 6.6 t -132.61 -163.48 1.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.662 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.63 68.8 1.5 Allowed Glycine 0 CA--C 1.521 0.417 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 33.65 79.82 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.9 0.412 . . . . 0.0 111.598 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.12 -62.84 4.71 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.374 -1.091 . . . . 0.0 110.374 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -141.42 78.77 1.65 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.81 0.338 . . . . 0.0 110.195 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 17.7 t -134.25 128.66 34.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.903 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 68.9 m -118.71 151.5 37.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.517 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.52 128.44 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 47.0 m -139.35 34.89 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.459 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.95 161.89 29.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.63 148.5 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.528 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.92 -155.66 51.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.85 130.42 43.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.751 0.31 . . . . 0.0 110.51 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.53 110.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.692 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.82 122.44 24.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.508 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.7 104.95 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.631 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 94.4 m -120.01 129.81 54.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.419 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.47 -163.32 0.7 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.44 -55.58 12.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.186 -0.206 . . . . 0.0 110.748 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.24 -100.51 1.3 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 22.0 p -111.18 110.87 21.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.47 168.03 15.14 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.279 -0.569 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -126.69 126.15 43.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.509 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.36 173.62 6.57 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.617 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -44.7 169.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.521 2.148 . . . . 0.0 112.897 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -142.98 111.01 6.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.308 -0.86 . . . . 0.0 108.957 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . 0.439 ' H ' ' H ' ' H' ' 73' ' ' GLN . . . 123.13 -84.48 0.37 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' I' ' 86' ' ' SER . 0.1 OUTLIER -95.35 -59.72 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.969 0.414 . . . . 0.0 110.602 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.59 103.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.5 120.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.471 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -109.46 99.73 8.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.41 -146.57 15.76 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.89 72.66 0.41 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -51.82 142.05 15.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.96 0.409 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.34 -47.48 0.68 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.14 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.679 0.276 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.75 93.67 3.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.573 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.33 97.21 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.224 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' I' ' 75' ' ' TYR . 50.1 m -146.43 179.55 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.14 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -159.89 126.4 4.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.8 -178.69 5.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 110.692 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -170.21 161.02 8.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 40.2 t -163.77 140.87 7.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.003 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -143.17 80.24 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.21 52.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -97.7 112.5 24.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.684 0.278 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.17 125.47 33.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.13 8.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.247 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.94 167.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.569 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.435 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.799 0.333 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.7 t -94.8 160.33 14.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -136.53 133.23 36.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.212 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -149.71 127.77 11.96 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.523 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.4 ' OG1' HG22 ' B' ' 47' ' ' THR . 4.9 t -83.17 -38.12 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.2 t -136.98 137.68 39.74 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.693 0.282 . . . . 0.0 110.841 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.35 73.79 0.85 Allowed Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.305 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 28.23 71.51 0.05 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 124.169 0.57 . . . . 0.0 112.44 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.66 93.92 0.06 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.58 92.48 0.08 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.898 0.38 . . . . 0.0 110.071 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -147.47 154.29 40.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.498 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -143.04 146.51 33.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -126.64 137.56 53.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.337 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -144.99 35.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -61.31 148.44 41.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.26 144.88 43.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.52 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.45 -159.77 51.62 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.91 133.63 55.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.448 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 94.2 p -173.01 114.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.668 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.5 122.8 25.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.13 101.09 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.6 m -117.45 128.37 54.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.543 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.01 -162.29 1.07 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.74 -56.43 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.01 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.46 -97.1 1.13 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.4 p -113.34 110.11 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.357 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.37 164.15 17.45 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.612 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.46 121.8 36.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.307 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.8 p -70.16 170.26 10.79 Favored Pre-proline 0 N--CA 1.464 0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.812 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.69 107.18 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.073 1.849 . . . . 0.0 112.185 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -75.2 113.05 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.094 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.92 -92.99 0.22 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.99 -60.12 1.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.174 -0.21 . . . . 0.0 110.819 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.17 108.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.11 101.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.924 0.392 . . . . 0.0 110.885 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 79.3 m -101.15 100.31 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.329 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.01 -143.9 15.68 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.36 76.05 0.16 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -61.36 137.38 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 111.232 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.06 -45.82 0.69 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t 171.42 132.87 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.38 -71.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.351 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.81 81.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.947 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 t -148.08 -176.66 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.5 127.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.109 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -139.65 -176.46 4.56 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.799 0.333 . . . . 0.0 111.056 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.1 t -155.94 160.57 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.833 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.2 t -135.65 130.42 34.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -143.0 95.75 2.82 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.906 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.58 56.42 0.24 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.93 110.85 23.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.729 0.299 . . . . 0.0 110.571 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -141.01 134.65 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.765 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.85 135.53 43.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.163 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.0 p -149.05 162.89 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.515 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.554 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.713 0.292 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 12.3 t -94.79 160.27 14.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -136.56 133.27 36.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.194 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.67 127.79 12.0 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.9 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.41 ' OG1' HG22 ' C' ' 47' ' ' THR . 4.6 t -83.46 -38.04 22.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.84 138.03 40.35 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.86 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 106.68 76.0 0.98 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.985 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' B' ' 49' ' ' GLY . 65.4 m-85 25.99 72.03 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.08 93.98 0.06 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.65 92.39 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.47 154.23 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -143.04 146.54 33.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -126.67 137.41 53.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.393 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 91.8 p -144.81 35.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 70.1 m -61.23 148.47 40.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.27 144.83 43.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.56 -159.76 51.47 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.89 133.61 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 94.1 p -173.0 113.98 0.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.705 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.32 122.76 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.12 101.11 12.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -117.21 128.48 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.17 -162.12 1.1 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.9 -56.45 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.599 0.238 . . . . 0.0 110.881 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -97.45 1.16 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 25.2 p -112.94 110.01 19.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.652 0.263 . . . . 0.0 110.373 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.85 17.41 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.671 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 41.5 t -123.07 121.67 36.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.27 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . 0.4 ' H ' HG23 ' B' ' 71' ' ' THR . 7.0 p -70.16 170.65 9.54 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.83 106.0 0.2 Allowed 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.235 1.956 . . . . 0.0 112.397 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -74.02 113.52 11.29 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.381 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.9 -92.76 0.22 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.95 -60.16 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 110.784 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.34 109.05 0.01 OUTLIER Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.07 101.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.966 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 82.6 m -100.81 100.0 10.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.81 -143.14 14.21 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.08 76.27 0.15 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -61.55 137.62 58.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.08 0.467 . . . . 0.0 111.29 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.04 -45.58 0.7 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.37 132.88 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.4 -71.08 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.343 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.91 81.64 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.965 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.94 -176.53 5.31 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.45 127.6 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.207 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.62 -176.5 4.58 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.235 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.91 160.43 40.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.42 130.35 34.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.513 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -143.17 96.31 2.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.16 56.82 0.24 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.96 110.72 23.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.73 0.3 . . . . 0.0 110.65 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.67 30.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.747 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.87 135.52 43.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.23 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -148.94 163.0 38.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.501 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.739 0.304 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 12.3 t -94.79 160.3 14.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.53 133.27 36.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.224 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.67 127.68 11.92 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.937 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . 0.411 ' OG1' HG22 ' D' ' 47' ' ' THR . 4.5 t -83.52 -37.96 22.38 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -136.82 138.03 40.38 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.857 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 106.58 76.09 0.99 Allowed Glycine 0 CA--C 1.523 0.591 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.997 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' C' ' 49' ' ' GLY . 65.7 m-85 25.9 72.04 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.0 93.88 0.06 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.72 92.32 0.08 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.969 0.414 . . . . 0.0 110.073 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 39.8 t -147.47 154.25 40.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.591 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.07 146.58 33.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.624 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -126.71 137.47 53.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.317 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 91.1 p -144.97 35.28 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -61.37 148.52 41.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.55 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.27 144.9 43.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.43 -159.86 51.71 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.8 133.65 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.455 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 94.4 p -173.04 113.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.735 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.26 122.8 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.467 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.12 101.04 11.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 92.7 m -117.21 128.61 55.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.591 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.24 -162.04 1.11 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.96 -56.49 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.578 0.228 . . . . 0.0 110.858 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.77 -97.51 1.15 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -112.97 110.07 19.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.92 17.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.609 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 41.4 t -123.17 121.64 36.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.231 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.405 ' H ' HG23 ' C' ' 71' ' ' THR . 6.9 p -70.22 170.79 9.17 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.755 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.84 105.82 0.19 Allowed 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 122.326 2.017 . . . . 0.0 112.389 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.9 113.49 11.12 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.402 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.99 -92.78 0.22 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.85 -60.17 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.35 109.06 0.01 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.02 102.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.392 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 82.3 m -100.8 100.08 10.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.431 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.79 -143.19 14.32 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.24 76.21 0.15 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.59 137.59 58.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.103 0.478 . . . . 0.0 111.207 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.05 -45.59 0.7 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.33 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.37 -71.16 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.362 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.9 81.66 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -147.96 -176.61 5.34 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.8 t -171.36 127.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.22 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.49 4.57 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.242 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.87 160.41 40.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.808 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.37 130.31 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.538 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -143.15 96.41 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.001 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.06 56.88 0.24 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -97.04 110.7 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.77 0.319 . . . . 0.0 110.502 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.93 134.68 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.801 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.87 135.55 43.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.221 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -148.93 162.96 38.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.028 -0.986 . . . . 0.0 110.559 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.812 0.339 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.78 160.37 14.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.033 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 9.3 t -136.73 133.02 35.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.4 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.53 127.72 12.06 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.917 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . 0.411 HG22 ' OG1' ' C' ' 47' ' ' THR . 4.6 t -83.52 -38.11 22.18 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.968 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.64 138.09 40.78 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.908 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 106.67 76.16 0.99 Allowed Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.009 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' D' ' 49' ' ' GLY . 65.9 m-85 25.94 72.02 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.22 93.99 0.07 OUTLIER Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.68 92.35 0.08 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.987 0.422 . . . . 0.0 110.112 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.43 154.26 40.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.602 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 47.0 t -143.06 146.53 33.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -126.65 137.32 53.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.403 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 91.6 p -144.86 35.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.566 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -61.39 148.39 41.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.18 144.87 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.43 -159.88 51.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.89 133.64 55.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 110.459 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 93.6 p -173.02 114.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.632 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.3 122.95 25.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.3 100.98 11.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -117.33 128.55 55.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.547 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.17 -162.09 1.1 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.99 -56.23 9.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.482 0.182 . . . . 0.0 110.926 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.43 -97.44 1.17 Allowed Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -113.0 109.85 19.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.586 0.231 . . . . 0.0 110.537 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.31 163.92 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.064 -0.655 . . . . 0.0 111.602 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.07 121.66 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.259 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . 0.406 ' H ' HG23 ' D' ' 71' ' ' THR . 6.9 p -70.21 170.83 9.04 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.724 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.95 105.91 0.2 Allowed 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.207 1.938 . . . . 0.0 112.45 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.97 113.59 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.309 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.89 -92.8 0.22 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.73 -60.32 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.37 109.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.08 101.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.975 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 84.5 m -100.86 99.95 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.473 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.75 -143.32 14.57 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.23 76.25 0.15 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -61.64 137.84 58.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.1 0.476 . . . . 0.0 111.167 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.91 -45.63 0.7 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.41 132.9 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.714 0.292 . . . . 0.0 110.224 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.34 -71.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.344 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.83 81.72 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.96 -176.56 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -171.44 127.58 0.66 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.246 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.49 4.57 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.2 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.9 160.3 40.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.33 130.34 34.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.469 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -143.32 96.33 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.027 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.19 56.83 0.24 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.94 110.71 23.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.703 0.287 . . . . 0.0 110.586 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.74 30.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.792 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.95 135.53 43.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.186 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -148.98 163.09 38.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.518 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.563 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.726 0.298 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.78 160.26 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -136.57 133.32 36.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.273 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -149.95 128.66 12.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.024 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . 0.414 ' OG1' HG22 ' F' ' 47' ' ' THR . 4.8 t -84.62 -40.14 17.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.698 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -131.21 137.16 48.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 108.55 71.66 0.73 Allowed Glycine 0 C--O 1.22 -0.746 0 C-N-CA 118.77 -1.681 . . . . 0.0 112.782 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' E' ' 49' ' ' GLY . 68.3 m-85 25.31 76.3 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.268 0.627 . . . . 0.0 111.418 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.82 91.97 0.07 OUTLIER Glycine 0 CA--C 1.519 0.3 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 69.51 92.58 0.08 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.013 0.435 . . . . 0.0 110.008 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 40.1 t -147.58 154.27 40.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.54 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 47.2 t -142.87 146.9 34.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.499 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -126.83 137.52 53.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.469 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 90.6 p -144.92 35.27 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 69.9 m -61.36 148.44 41.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.532 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.18 144.81 43.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.6 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.51 -159.79 51.56 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.9 133.7 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 94.4 p -173.11 114.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.651 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.34 122.73 25.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.527 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.16 100.8 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.09 128.47 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.455 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.8 -162.31 1.0 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -56.97 7.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.591 0.234 . . . . 0.0 110.925 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.06 -97.59 1.14 Allowed Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.463 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -113.13 109.73 19.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.089 0.523 . . . . 0.0 110.236 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.2 164.07 17.85 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.63 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 41.3 t -123.46 122.69 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.165 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 7.6 p -71.37 170.83 10.35 Favored Pre-proline 0 CA--C 1.532 0.267 0 O-C-N 124.741 1.276 . . . . 0.0 109.284 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.69 108.34 0.37 Allowed 'Trans proline' 0 N--CA 1.503 2.048 0 C-N-CA 121.62 1.547 . . . . 0.0 111.821 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -75.38 114.39 13.86 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.071 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.33 -92.66 0.22 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.41 -58.92 1.94 Allowed 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.126 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.63 109.98 0.01 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t 55.91 103.13 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.19 0.519 . . . . 0.0 110.704 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 83.7 m -101.21 100.4 10.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.428 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.12 -142.73 13.61 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.16 75.65 0.17 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.384 -0.687 . . . . 0.0 111.384 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -61.64 137.44 58.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.189 0.519 . . . . 0.0 111.186 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.18 -43.61 0.77 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 169.33 133.24 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.03 0.443 . . . . 0.0 110.053 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.54 -71.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.147 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 53.2 81.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.987 0.805 . . . . 0.0 110.832 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.9 -176.65 5.35 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.41 127.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.188 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -139.68 -176.6 4.62 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 121.434 0.635 . . . . 0.0 111.149 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.14 161.38 41.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.813 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 11.0 t -135.7 130.18 33.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -142.39 94.83 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.88 56.7 0.23 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.17 110.55 22.81 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.812 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -140.91 134.73 30.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.754 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -133.61 135.29 44.12 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.836 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -148.71 163.05 38.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.561 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 71.6 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.573 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.786 0.327 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.83 160.34 14.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -136.52 133.45 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.207 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.84 127.71 11.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.933 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . 0.414 HG22 ' OG1' ' E' ' 47' ' ' THR . 4.5 t -83.32 -38.23 22.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.964 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.67 138.16 40.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 106.35 76.36 1.02 Allowed Glycine 0 C--O 1.223 -0.534 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.95 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' F' ' 49' ' ' GLY . 65.7 m-85 25.54 72.18 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.11 93.85 0.06 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.74 92.35 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.932 0.396 . . . . 0.0 110.075 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -147.54 154.25 40.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.08 146.54 33.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -126.7 137.4 53.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.436 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 91.1 p -144.83 35.25 1.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.639 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -61.38 148.46 41.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.487 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -115.24 144.83 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.48 -159.86 51.65 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.86 133.68 55.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.443 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 94.0 p -173.02 114.02 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.31 122.8 25.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.478 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.28 101.04 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.16 128.66 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.419 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.26 -161.95 1.1 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -56.66 8.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 110.853 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.76 -97.49 1.15 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 25.4 p -112.88 110.09 19.96 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.43 163.92 17.31 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.568 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.16 121.61 36.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.279 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . 0.409 ' H ' HG23 ' F' ' 71' ' ' THR . 7.1 p -70.07 170.77 9.05 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.752 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.89 105.83 0.19 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.277 1.985 . . . . 0.0 112.444 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.93 113.7 11.39 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.306 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.78 -92.99 0.22 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.55 -60.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.788 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.39 109.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t 57.04 102.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 82.4 m -100.82 100.19 10.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.414 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.83 -143.24 14.4 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.23 76.2 0.15 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.61 137.53 58.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 111.252 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.04 -45.58 0.7 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.37 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -104.33 -71.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.358 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.96 81.67 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.97 -176.51 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 111.07 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -171.51 127.63 0.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.105 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.62 -176.38 4.53 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 111.254 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.99 160.38 40.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 11.2 t -135.45 130.4 34.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.511 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.16 96.51 2.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.01 56.74 0.25 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.86 110.63 23.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.73 0.3 . . . . 0.0 110.62 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.63 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.764 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.88 135.58 43.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.229 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 87.6 p -148.96 163.01 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.551 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.533 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.739 0.304 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.75 160.26 14.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.031 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.42 133.21 36.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.27 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.72 127.73 11.92 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.911 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . 0.41 ' OG1' HG22 ' H' ' 47' ' ' THR . 4.5 t -83.62 -38.03 22.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.964 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 43.3 t -136.74 138.13 40.64 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.853 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 106.61 76.05 0.99 Allowed Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.978 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' G' ' 49' ' ' GLY . 65.3 m-85 25.87 72.17 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.13 93.92 0.06 OUTLIER Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.7 92.36 0.08 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.914 0.388 . . . . 0.0 110.098 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.51 154.19 40.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.578 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.03 146.54 33.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.643 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -126.67 137.43 53.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -144.88 35.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.595 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.9 m -61.4 148.54 41.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.519 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.32 144.88 43.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.46 -159.79 51.62 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.97 133.72 55.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 94.6 p -173.02 114.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.683 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.3 122.83 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.29 101.07 11.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.63 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.22 128.54 55.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.26 -162.05 1.12 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -56.49 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.6 0.238 . . . . 0.0 110.861 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.68 -97.48 1.16 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -112.95 110.01 19.8 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.91 17.4 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.613 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 41.5 t -123.09 121.66 36.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.199 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . 0.415 ' H ' HG23 ' G' ' 71' ' ' THR . 6.9 p -70.21 170.83 9.01 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.724 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.88 105.78 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.258 1.972 . . . . 0.0 112.464 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.83 113.56 11.12 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.424 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.0 -92.88 0.22 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.87 -60.17 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.756 0.312 . . . . 0.0 110.865 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.37 109.09 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.04 102.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 83.7 m -100.85 100.02 10.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.73 -143.19 14.31 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.19 76.16 0.15 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -61.65 137.73 58.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.142 0.496 . . . . 0.0 111.161 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.94 -45.57 0.7 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.38 132.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.696 0.284 . . . . 0.0 110.239 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.29 -71.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.395 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.9 81.61 0.08 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.943 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.93 -176.5 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.201 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -171.44 127.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.16 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.68 -176.44 4.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 111.232 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.92 160.42 40.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.43 130.37 34.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.486 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -143.18 96.51 2.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.02 56.86 0.24 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.98 110.81 23.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.619 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -141.0 134.67 30.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.9 135.52 43.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.223 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 87.6 p -148.95 163.07 38.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.546 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.54 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.8 0.333 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.77 160.29 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.49 133.31 36.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.253 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.71 127.7 11.9 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.911 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . 0.41 HG22 ' OG1' ' G' ' 47' ' ' THR . 4.5 t -83.56 -38.01 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.739 -0.384 . . . . 0.0 112.003 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.82 137.97 40.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 106.73 76.12 0.99 Allowed Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.971 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' H' ' 49' ' ' GLY . 65.6 m-85 25.84 72.13 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.13 93.95 0.06 OUTLIER Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.66 92.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.906 0.384 . . . . 0.0 110.136 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 39.8 t -147.37 154.25 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.559 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 47.4 t -143.01 146.49 33.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.68 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -126.59 137.44 53.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.359 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 89.7 p -144.94 35.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.556 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 70.1 m -61.35 148.46 41.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.23 144.87 43.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.532 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.45 -159.84 51.68 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.86 133.62 55.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.464 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 94.3 p -172.98 114.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.666 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.46 122.82 25.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.438 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.25 101.06 11.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.613 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 92.9 m -117.25 128.55 55.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.18 -161.91 1.07 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.15 -56.39 9.35 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.916 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -97.45 1.16 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -112.99 110.02 19.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.38 163.89 17.43 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.593 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 41.7 t -123.07 121.62 36.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.305 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 6.8 p -70.1 170.86 8.8 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.72 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.93 105.82 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.195 1.93 . . . . 0.0 112.473 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.89 113.65 11.29 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.398 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.94 -92.84 0.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.77 -60.28 1.68 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.47 109.16 0.01 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.04 101.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.989 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 84.0 m -100.73 100.01 10.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.416 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.74 -143.17 14.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.16 76.31 0.15 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.65 137.61 58.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.205 0.526 . . . . 0.0 111.171 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.99 -45.47 0.7 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.33 132.89 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.33 -71.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.382 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.79 81.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -148.0 -176.57 5.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -171.43 127.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.178 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.59 4.61 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.285 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.81 160.4 40.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -135.36 130.33 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.514 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.18 96.49 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.999 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.08 56.78 0.24 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.84 110.62 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.715 0.293 . . . . 0.0 110.653 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.94 134.64 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.803 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.85 135.58 43.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.24 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -148.99 163.05 38.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.549 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.562 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.8 160.19 14.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -136.46 133.28 36.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.308 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -149.53 129.26 13.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.79 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . 0.41 HG22 ' OG1' ' H' ' 47' ' ' THR . 4.6 t -85.4 -38.31 18.84 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.468 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -136.42 138.13 41.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 106.69 76.09 0.99 Allowed Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.015 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' I' ' 49' ' ' GLY . 64.4 m-85 25.73 73.35 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 178.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.29 93.93 0.08 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.74 92.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.898 0.38 . . . . 0.0 110.071 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.26 154.24 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.529 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 47.0 t -142.99 146.52 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -126.59 137.41 53.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.423 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 91.0 p -144.89 35.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.518 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -61.33 148.46 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.56 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.24 144.78 43.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.55 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.54 -159.76 51.5 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.91 133.59 55.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.463 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 94.0 p -172.98 114.12 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -77.41 122.84 25.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.519 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.33 101.08 11.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -117.03 128.78 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.48 -161.81 1.15 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -56.57 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.739 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.75 -97.67 1.17 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -112.79 110.04 19.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.52 163.98 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.314 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 42.0 t -123.12 122.59 38.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.128 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 7.1 p -71.02 170.91 9.68 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.02 105.93 0.2 Allowed 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 122.3 2.0 . . . . 0.0 112.281 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.93 113.78 11.49 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.408 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.05 -92.72 0.21 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.53 -60.33 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 110.955 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.57 109.37 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.0 102.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 87.5 m -100.54 99.76 10.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.559 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.45 -142.98 13.93 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.14 76.37 0.14 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.62 138.15 58.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.229 0.537 . . . . 0.0 111.052 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.79 -45.45 0.71 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 6.0 t 171.34 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.5 m -104.25 -71.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.336 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.87 81.58 0.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -148.13 -176.98 5.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 111.013 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -171.01 127.65 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.248 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.71 -176.86 4.71 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.133 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 48.2 t -155.54 160.41 40.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t -135.21 130.22 34.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.558 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -143.39 97.07 3.01 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.142 0.496 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 119.64 57.23 0.25 Allowed Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.417 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.87 110.57 23.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.76 0.314 . . . . 0.0 110.73 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -140.98 134.73 30.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.786 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.89 135.54 43.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.177 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -149.0 162.99 38.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.564 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.797 0.332 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -131.41 144.39 51.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.1 m -135.19 132.99 38.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -139.12 141.97 38.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.29 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.63 -52.34 1.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -133.71 127.31 32.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.837 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.25 77.18 0.96 Allowed Glycine 0 CA--C 1.527 0.814 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.373 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 34.09 69.84 0.14 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.11 95.23 0.34 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 68.56 97.03 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 0.0 110.518 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.9 p -163.85 168.23 19.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.38 157.15 39.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.33 131.52 51.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.2 149.9 45.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.623 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.87 130.94 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.464 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.53 152.72 6.37 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.18 132.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.707 0.289 . . . . 0.0 110.61 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 m -118.59 -22.1 7.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.8 126.98 9.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.635 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.46 107.38 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -116.25 129.86 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.11 -161.85 0.49 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.74 -52.49 23.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.7 -111.92 2.43 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -111.24 104.7 13.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.264 0.554 . . . . 0.0 110.194 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -141.46 140.55 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.711 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.7 m -107.05 125.76 51.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.308 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.412 HG22 ' HD2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -84.56 172.94 7.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.069 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HD2' HG22 ' A' ' 71' ' ' THR . 69.4 Cg_exo -47.99 179.3 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.778 2.319 . . . . 0.0 113.909 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -147.11 111.76 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.057 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.76 -80.29 0.35 Allowed Glycine 0 CA--C 1.527 0.83 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -123.18 97.05 5.24 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.163 0.506 . . . . 0.0 110.102 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.88 -87.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.317 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -152.16 171.11 18.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.426 . . . . 0.0 111.3 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.0 p -127.95 147.4 50.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.272 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.87 87.6 0.3 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.35 147.25 4.77 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -91.28 55.25 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.042 0.448 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.29 -71.56 0.6 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -166.65 107.94 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 0.0 110.554 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.44 83.31 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.331 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.29 133.18 34.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.709 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -154.73 -175.54 5.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.021 0.439 . . . . 0.0 111.348 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -145.91 119.39 9.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.61 -178.46 7.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -172.22 159.97 4.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.767 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.0 p -163.38 166.33 23.0 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.793 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.55 76.18 0.19 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.313 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.79 47.72 0.1 OUTLIER Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.75 118.44 34.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.629 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -131.18 123.97 29.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.87 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.352 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.55 55.68 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.439 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.521 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.812 0.339 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.3 144.29 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.23 132.79 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -138.73 141.68 38.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.431 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.77 -52.35 1.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.146 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.2 t -133.41 127.76 34.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.775 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.61 79.6 1.16 Allowed Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.0 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.31 70.51 0.09 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.44 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.64 96.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.825 0.345 . . . . 0.0 110.543 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 77.9 p -163.76 168.14 20.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.527 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 92.8 p -153.32 157.18 39.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.598 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.31 131.51 51.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 50.8 m -140.84 23.99 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 70.0 m -71.27 149.99 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.634 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.93 130.98 42.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.443 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.52 152.84 6.44 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.27 132.19 0.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.742 0.306 . . . . 0.0 110.545 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.66 -21.83 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.96 126.86 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.642 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.44 107.35 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -116.15 130.0 56.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.624 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.32 -161.75 0.52 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.92 -52.46 24.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 110.731 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.86 -112.19 2.47 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.03 104.59 13.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.994 0.426 . . . . 0.0 110.213 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.42 140.37 33.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.702 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 69.9 m -106.68 125.64 51.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.375 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . 0.415 HG22 ' HD2' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -84.23 173.27 7.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.942 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . 0.415 ' HD2' HG22 ' B' ' 71' ' ' THR . 78.2 Cg_exo -47.75 -178.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.925 2.417 . . . . 0.0 113.777 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.25 110.75 4.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.053 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.69 -79.99 0.35 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.98 97.04 5.26 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.13 -87.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.479 -0.649 . . . . 0.0 111.479 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -152.05 171.51 17.74 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 66.1 p -128.0 147.77 50.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.223 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.01 87.71 0.3 Allowed Glycine 0 CA--C 1.528 0.844 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.22 147.36 4.8 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -91.14 55.76 2.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.387 . . . . 0.0 110.663 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.57 -71.42 0.58 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.72 107.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.764 0.316 . . . . 0.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.35 83.36 2.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.323 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.31 132.76 34.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.806 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 22.4 m -154.29 -175.5 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.045 0.45 . . . . 0.0 111.343 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -145.85 119.29 9.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.33 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.59 -178.44 7.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 45.9 t -172.17 159.93 5.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.787 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 87.7 p -163.36 166.23 23.17 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.012 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.76 78.07 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.19 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.0 47.77 0.09 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.79 118.31 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.322 . . . . 0.0 110.699 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.23 123.86 29.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.672 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.51 129.88 33.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.354 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.6 55.63 6.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.398 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.637 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.718 0.294 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -131.29 144.2 51.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 92.6 m -135.1 132.79 38.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -138.77 141.64 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.442 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.73 -52.47 1.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.41 127.88 34.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.737 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.51 79.73 1.17 Allowed Glycine 0 CA--C 1.524 0.631 0 C-N-CA 120.411 -0.899 . . . . 0.0 111.998 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.42 70.48 0.09 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.55 95.29 0.37 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.62 96.86 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.901 0.381 . . . . 0.0 110.53 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 78.2 p -163.75 168.27 19.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.507 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.44 157.09 39.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.543 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -126.28 131.56 51.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.84 24.05 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -71.26 149.89 45.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.679 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.75 131.0 42.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.462 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.5 152.78 6.38 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.23 132.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.773 0.321 . . . . 0.0 110.51 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.74 -21.88 7.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.99 126.9 8.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.588 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.48 107.34 8.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.12 130.04 56.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.568 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.29 -161.78 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.96 -52.38 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.658 0.265 . . . . 0.0 110.768 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.84 -112.12 2.46 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.12 104.62 13.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.04 0.448 . . . . 0.0 110.173 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.4 140.53 33.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.662 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 70.5 m -106.91 125.63 51.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.319 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.416 HG22 ' HD2' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -84.12 173.31 7.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.92 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . 0.416 ' HD2' HG22 ' C' ' 71' ' ' THR . 77.9 Cg_exo -47.72 -178.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.996 2.464 . . . . 0.0 113.73 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.35 110.78 4.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.079 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.74 -79.98 0.35 Allowed Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.03 97.15 5.3 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.1 -87.0 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.07 171.5 17.78 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.256 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 65.3 p -128.03 147.87 50.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.205 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.14 87.81 0.3 Allowed Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.18 147.38 4.81 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -91.22 55.96 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.98 0.419 . . . . 0.0 110.678 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.67 -71.37 0.58 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -166.77 107.93 0.66 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.789 0.328 . . . . 0.0 110.571 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.4 83.36 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.279 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.3 132.69 34.02 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.849 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 22.6 m -154.19 -175.37 5.36 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.35 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.85 119.27 9.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.348 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.52 -178.43 7.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.902 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -172.21 159.84 4.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 87.8 p -163.23 166.34 23.34 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.085 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.8 78.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.16 47.83 0.09 OUTLIER Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.74 118.22 33.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 110.73 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.2 123.95 29.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.667 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.88 33.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.274 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t 56.65 55.63 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.384 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.535 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.82 0.343 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -131.34 144.23 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -135.17 132.73 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.782 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.71 141.63 38.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.412 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.75 -52.54 1.9 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.032 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 45.9 t -133.29 128.07 34.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.761 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.41 79.64 1.17 Allowed Glycine 0 C--O 1.222 -0.604 0 C-N-CA 120.366 -0.921 . . . . 0.0 111.995 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' E' ' 49' ' ' GLY . 11.7 m-85 31.41 70.56 0.09 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.54 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.68 96.86 0.06 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.848 0.356 . . . . 0.0 110.574 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -163.82 168.21 19.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 93.2 p -153.42 157.08 39.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -126.23 131.58 51.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.454 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 50.9 m -140.9 24.1 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.612 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -71.32 149.95 45.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.628 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.86 131.05 42.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.52 152.76 6.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -174.2 132.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.735 0.302 . . . . 0.0 110.564 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.71 -21.78 7.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.01 126.77 8.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.337 . . . . 0.0 110.573 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.41 107.42 8.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -116.44 129.89 56.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.1 -161.79 0.48 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -52.16 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.722 0.296 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.5 -112.02 2.47 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.16 104.32 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.956 0.408 . . . . 0.0 110.391 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.32 140.49 33.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 69.6 m -106.74 125.64 51.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.4 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . 0.414 HG22 ' HD2' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -84.27 173.35 7.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.875 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . 0.414 ' HD2' HG22 ' D' ' 71' ' ' THR . 78.5 Cg_exo -47.69 -178.66 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.916 2.41 . . . . 0.0 113.741 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . 0.435 ' H ' ' H ' ' E' ' 74' ' ' GLY . 71.3 mt-30 -149.4 110.73 4.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.032 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.67 -79.96 0.35 Allowed Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.09 97.07 5.26 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.99 -87.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 43.4 t -151.96 171.54 17.65 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.257 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 66.5 p -127.91 147.78 50.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.476 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.09 87.7 0.3 Allowed Glycine 0 CA--C 1.528 0.869 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.439 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.18 147.4 4.82 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -91.21 56.07 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.673 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.77 -71.39 0.58 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.78 107.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.619 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.4 83.36 2.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.299 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.34 132.65 33.91 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.853 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 22.6 m -154.15 -175.41 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 111.373 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -145.87 119.31 9.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.263 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.51 -178.47 7.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -172.23 159.84 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 87.5 p -163.28 166.23 23.35 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.98 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.84 78.44 0.21 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.28 47.86 0.09 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.76 118.26 33.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.752 0.31 . . . . 0.0 110.755 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.18 123.95 29.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.681 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.91 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.298 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.54 55.65 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.432 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.626 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.805 0.336 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -131.36 144.22 51.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -135.16 132.87 38.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -138.41 141.82 39.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . 0.401 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -123.21 -50.08 1.92 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.589 -0.844 . . . . 0.0 112.129 177.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . 0.401 ' N ' HG22 ' E' ' 47' ' ' THR . 47.6 t -131.06 126.04 34.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.856 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' D' ' 50' ' ' TYR . . . 111.76 72.2 0.63 Allowed Glycine 0 C--O 1.217 -0.939 0 C-N-CA 117.78 -2.152 . . . . 0.0 113.576 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' E' ' 49' ' ' GLY . 12.7 m-85 31.29 75.45 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.37 0.605 . . . . 0.0 110.945 -177.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.08 92.9 0.4 Allowed Glycine 0 CA--C 1.518 0.247 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 69.7 96.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.906 0.384 . . . . 0.0 110.496 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -163.87 168.33 19.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.451 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 91.7 p -153.21 157.31 40.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.401 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -126.22 131.71 51.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.752 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.8 24.03 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -71.26 149.93 45.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.681 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.84 130.89 42.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.486 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 152.72 6.51 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.19 132.27 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.68 -21.79 7.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.06 126.67 8.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.557 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -132.21 106.97 8.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.0 129.95 56.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.91 -162.24 0.48 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.6 -52.84 20.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.693 0.282 . . . . 0.0 110.79 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.13 -112.04 2.41 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.15 104.14 12.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.901 0.381 . . . . 0.0 110.147 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -141.06 141.22 34.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 71.6 m -107.51 126.98 53.2 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.126 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . 0.412 HG22 ' HD2' ' E' ' 72' ' ' PRO . 0.0 OUTLIER -85.22 173.26 7.31 Favored Pre-proline 0 C--N 1.328 -0.365 0 O-C-N 124.551 1.157 . . . . 0.0 109.495 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . 0.412 ' HD2' HG22 ' E' ' 71' ' ' THR . 77.6 Cg_exo -47.79 -179.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.505 2.193 0 C-N-CA 122.999 2.466 . . . . 0.0 113.538 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -148.73 114.12 5.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.608 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . 0.435 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 121.22 -81.33 0.34 Allowed Glycine 0 CA--C 1.543 1.814 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -177.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -121.83 95.48 4.68 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 122.755 -0.262 . . . . 0.0 110.31 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -44.97 -86.66 0.01 OUTLIER Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -152.42 171.52 17.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.013 0.435 . . . . 0.0 111.183 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 66.0 p -127.74 147.29 50.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.173 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -128.76 86.17 0.32 Allowed Glycine 0 CA--C 1.542 1.754 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.825 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.48 146.45 4.53 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -90.18 56.95 3.57 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.718 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -113.72 -70.52 0.53 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 48.1 t -167.21 107.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.591 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 6.3 p -121.22 82.53 1.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.215 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -136.99 132.11 33.86 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.803 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 21.4 m -154.08 -176.42 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 111.35 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.24 119.29 9.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.277 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.69 -179.25 8.01 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -170.27 160.39 7.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.781 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 89.9 p -162.75 167.04 23.56 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.205 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.68 77.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.318 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 47.97 0.09 OUTLIER Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -96.34 118.08 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.28 -0.168 . . . . 0.0 110.992 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.33 124.01 29.51 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.609 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.33 129.75 33.95 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.513 0.508 . . . . 0.0 110.017 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.69 55.66 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.502 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.573 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.819 0.342 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m -131.4 144.26 51.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 92.2 m -135.13 132.68 38.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.59 141.63 39.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.85 -52.36 1.89 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.035 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.49 127.67 33.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.753 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' E' ' 50' ' ' TYR . . . 108.66 80.02 1.19 Allowed Glycine 0 C--O 1.222 -0.618 0 C-N-CA 120.384 -0.913 . . . . 0.0 111.902 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' F' ' 49' ' ' GLY . 11.6 m-85 30.85 70.73 0.08 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.57 95.25 0.37 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.65 96.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.833 0.349 . . . . 0.0 110.597 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 77.8 p -163.71 168.19 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.467 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 93.5 p -153.39 157.09 39.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.536 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -126.21 131.52 51.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.464 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.25 149.99 45.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.632 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.89 130.9 42.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.6 152.74 6.44 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -174.17 132.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.731 0.301 . . . . 0.0 110.539 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.73 -21.75 7.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.1 126.87 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.52 107.29 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.04 130.3 56.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.42 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.49 -161.65 0.54 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -52.65 23.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.655 0.264 . . . . 0.0 110.765 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.97 -112.14 2.45 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.04 104.58 13.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.983 0.42 . . . . 0.0 110.19 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -141.39 140.46 33.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.748 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -106.74 125.67 51.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.329 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . 0.414 HG22 ' HD2' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -84.29 173.31 7.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.896 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . 0.414 ' HD2' HG22 ' F' ' 71' ' ' THR . 78.0 Cg_exo -47.64 -178.6 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.992 2.462 . . . . 0.0 113.75 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.46 110.64 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.023 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.69 -80.07 0.35 Allowed Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.63 96.99 5.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.1 -87.06 0.01 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -152.0 171.48 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.208 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 65.2 p -127.97 147.86 50.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.21 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.12 87.75 0.3 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.359 -0.697 . . . . 0.0 111.359 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.12 147.41 4.82 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -91.17 55.98 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.401 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.71 -71.37 0.58 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.75 107.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 110.599 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.32 83.38 2.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.336 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.36 132.61 33.81 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.799 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 22.8 m -154.13 -175.37 5.36 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.378 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.4 t -145.87 119.32 9.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.275 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.55 -178.44 7.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.924 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 46.2 t -172.24 159.86 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.31 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 87.7 p -163.37 166.37 22.99 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.129 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.73 78.15 0.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.188 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.08 47.76 0.09 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.75 118.3 34.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.25 123.91 29.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.659 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.51 129.93 33.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.334 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.5 55.61 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.599 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.805 0.336 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -131.34 144.22 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.15 132.68 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -138.6 141.67 39.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.485 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.77 -52.37 1.9 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.109 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 45.9 t -133.47 127.99 34.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.73 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.41 79.73 1.18 Allowed Glycine 0 C--O 1.222 -0.601 0 C-N-CA 120.403 -0.903 . . . . 0.0 111.944 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.39 70.52 0.09 Allowed 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.52 95.29 0.37 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.67 96.84 0.06 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.801 0.334 . . . . 0.0 110.551 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -163.76 168.24 19.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.489 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -153.43 157.12 39.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.515 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -126.16 131.57 52.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.517 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.92 23.96 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.23 149.95 45.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.608 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.84 130.9 42.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.59 152.7 6.41 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.14 132.28 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.534 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 9.0 m -118.69 -21.88 7.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.96 126.82 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.613 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.36 107.34 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.661 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.14 129.97 56.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.22 -161.7 0.49 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.94 -52.4 24.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.3 . . . . 0.0 110.799 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.74 -112.15 2.47 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.06 104.57 13.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.953 0.406 . . . . 0.0 110.208 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.4 140.47 33.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.69 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 69.8 m -106.7 125.64 51.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.392 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . 0.414 HG22 ' HD2' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -84.2 173.32 7.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.875 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . 0.414 ' HD2' HG22 ' G' ' 71' ' ' THR . 78.1 Cg_exo -47.75 -178.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.874 2.382 . . . . 0.0 113.766 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.48 110.65 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.023 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.82 -79.9 0.35 Allowed Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.16 97.02 5.23 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.04 -86.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.12 171.55 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.197 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 65.0 p -128.03 147.96 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.226 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.19 87.79 0.3 Allowed Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.14 147.38 4.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -91.19 56.01 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.939 0.4 . . . . 0.0 110.677 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.7 -71.4 0.58 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -166.76 107.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.39 83.31 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.359 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.26 132.55 33.93 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.857 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 22.7 m -154.06 -175.39 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 0.0 111.415 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.9 119.27 8.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.319 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.47 -178.49 7.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.923 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 46.0 t -172.13 159.91 5.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.744 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 87.8 p -163.34 166.32 23.12 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.129 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.82 78.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.16 47.78 0.09 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.68 118.28 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 110.712 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.28 123.89 29.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.694 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.52 129.82 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.63 55.63 6.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.439 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.494 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.811 0.339 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.32 144.2 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.12 132.79 38.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.79 141.56 38.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.441 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.81 -52.28 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.086 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.45 127.89 34.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.741 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.48 79.68 1.17 Allowed Glycine 0 C--O 1.222 -0.627 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.003 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 31.35 70.52 0.09 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.51 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.65 96.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.79 0.329 . . . . 0.0 110.613 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -163.8 168.12 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.463 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.36 157.08 39.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.596 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.19 131.56 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.442 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.86 24.07 2.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -71.27 149.92 45.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.671 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.91 130.95 42.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.62 152.68 6.42 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.11 132.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 0.0 110.532 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.7 -21.8 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.05 126.84 8.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 110.562 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.43 107.36 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.636 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.15 130.12 56.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.35 -161.73 0.52 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.89 -52.42 24.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.681 0.277 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.78 -112.11 2.46 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.06 104.46 13.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.977 0.418 . . . . 0.0 110.223 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.23 140.53 33.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.678 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -106.83 125.62 51.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.291 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . 0.413 HG22 ' HD2' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -84.2 173.24 7.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.885 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . 0.413 ' HD2' HG22 ' H' ' 71' ' ' THR . 78.3 Cg_exo -47.68 -178.54 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.918 2.412 . . . . 0.0 113.783 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.46 110.77 4.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.032 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.75 -79.96 0.35 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.94 97.02 5.25 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.14 -86.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.19 171.49 17.85 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.214 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 65.6 p -127.94 147.91 50.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.221 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.14 87.84 0.3 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.08 147.36 4.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -91.14 56.06 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.647 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.78 -71.38 0.58 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.75 107.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.41 83.37 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.285 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.29 132.58 33.91 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.854 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 22.7 m -154.16 -175.54 5.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 111.39 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 45.3 t -145.73 119.29 9.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.322 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.55 -178.48 7.37 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.894 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 46.0 t -172.14 159.89 5.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 0.0 110.789 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 88.1 p -163.31 166.27 23.23 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.104 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.79 78.64 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.43 47.82 0.09 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.76 118.27 33.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 110.737 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.22 123.92 29.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.672 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.54 129.82 33.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.6 55.64 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.418 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.615 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.774 0.321 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.29 144.06 51.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.616 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -135.07 132.59 38.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.999 0.428 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -138.8 140.66 38.64 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.581 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.06 -52.62 1.97 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.161 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 45.2 t -133.21 128.31 35.64 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.733 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 108.34 79.59 1.17 Allowed Glycine 0 C--O 1.223 -0.589 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.954 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' I' ' 49' ' ' GLY . 11.4 m-85 31.08 72.11 0.07 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.7 95.31 0.46 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 68.6 96.49 0.06 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 110.577 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -163.4 168.3 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.482 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 92.9 p -153.43 157.1 39.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.494 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -126.21 131.5 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.514 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.601 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.2 149.92 45.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.645 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.97 130.8 42.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.431 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 152.6 6.42 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.01 132.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.526 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.62 -21.98 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.89 126.83 8.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.48 107.35 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.634 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -116.01 130.22 56.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.46 -161.64 0.53 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.02 -52.46 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.564 0.221 . . . . 0.0 110.692 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.87 -112.26 2.48 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 21.1 p -110.85 104.28 12.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.75 0.31 . . . . 0.0 110.194 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.27 140.57 33.91 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.549 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 69.4 m -106.63 126.15 51.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.282 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . 0.408 HG22 ' HD2' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -84.54 173.23 7.52 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.69 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . 0.408 ' HD2' HG22 ' I' ' 71' ' ' THR . 76.3 Cg_exo -47.99 -178.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.998 2.465 . . . . 0.0 113.498 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -149.49 111.19 4.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.096 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.83 -79.75 0.35 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.84 96.93 5.21 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.8 -86.48 0.01 OUTLIER Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 44.4 t -152.36 171.57 17.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.136 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 62.9 p -127.71 148.41 50.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.21 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.41 88.03 0.3 Allowed Glycine 0 CA--C 1.527 0.803 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.417 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.88 147.59 4.86 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -91.22 56.66 3.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.923 0.392 . . . . 0.0 110.569 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -113.01 -71.35 0.57 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 48.2 t -166.82 108.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.729 0.299 . . . . 0.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.54 83.32 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.295 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -137.19 132.47 33.96 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.652 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 24.1 m -154.15 -176.2 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.971 0.415 . . . . 0.0 111.271 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.11 119.27 9.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.371 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.72 -179.13 7.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.867 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 45.8 t -171.44 160.03 5.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 90.1 p -163.3 166.19 23.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.17 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -166.85 80.11 0.22 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 47.81 0.08 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.85 118.22 33.91 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.707 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -131.32 123.95 29.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.57 129.96 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.314 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.59 55.52 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.457 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.557 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.748 0.309 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.71 118.16 14.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.596 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -120.08 132.33 55.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -149.93 126.29 10.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.5 m -53.93 -54.21 41.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.341 0.591 . . . . 0.0 110.038 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 7.9 p -132.31 -100.41 0.28 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.244 178.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.28 50.46 28.88 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.625 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.52 -166.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.515 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.47 -53.07 1.26 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.79 -82.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.402 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.64 127.3 40.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.906 0.384 . . . . 0.0 110.771 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.9 t -100.86 123.73 45.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.195 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -97.53 143.92 27.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 111.045 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.39 26.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.322 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.5 m -86.49 -178.84 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.959 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.53 44.17 21.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.91 -176.35 41.95 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -100.28 26.0 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.366 . . . . 0.0 110.368 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.3 137.04 42.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -94.01 103.9 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -93.89 101.39 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.367 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.5 m -112.67 132.28 55.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.84 -160.25 0.09 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 48' ' ' SER . 2.0 m-85 -47.28 -53.37 13.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.102 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.47 -108.93 2.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.0 p -109.66 102.74 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.079 0.466 . . . . 0.0 110.312 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -159.09 177.63 10.89 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.68 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.5 t -131.42 122.2 25.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.229 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.59 173.21 7.75 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.077 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -45.42 171.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.651 2.234 . . . . 0.0 113.577 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.27 112.01 5.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.596 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.1 95.36 0.43 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -178.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 66.42 69.13 0.43 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.484 0.659 . . . . 0.0 110.147 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.32 101.84 2.77 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.09 100.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.033 0.444 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.76 149.65 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.39 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.83 92.92 0.19 Allowed Glycine 0 CA--C 1.528 0.884 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.68 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.44 130.28 2.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -92.2 54.6 2.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 110.779 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.38 68.52 0.53 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.975 0.417 . . . . 0.0 110.871 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.74 88.79 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.145 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.73 122.27 32.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.583 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.4 m -149.79 -179.0 6.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.962 0.411 . . . . 0.0 111.089 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -149.26 143.3 25.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.88 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.27 -175.34 1.39 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.338 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -161.52 170.89 19.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.739 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.3 112.53 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.426 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -121.46 98.11 5.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.934 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.97 53.01 0.1 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.91 104.96 17.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.54 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.28 143.57 37.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.728 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.5 m -133.25 119.76 20.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.447 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.61 -163.18 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.619 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.588 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.676 0.274 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.53 118.21 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.758 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -120.13 132.63 55.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.2 126.18 10.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.245 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.08 -54.38 40.21 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.402 ' HB2' ' CZ ' ' B' ' 66' ' ' TYR . 7.0 p -132.09 -100.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.21 52.47 22.71 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.373 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.45 -166.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.738 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.83 -53.06 1.22 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.84 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.611 0.243 . . . . 0.0 110.362 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 78.7 p -129.57 127.35 40.52 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.794 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -100.83 123.61 45.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.212 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.37 143.83 27.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.125 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.45 26.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.363 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 60.1 m -86.54 -178.95 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.917 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.55 44.12 21.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.99 -176.3 42.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.3 25.98 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.335 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.29 136.89 42.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.726 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.86 103.88 15.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.587 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -94.0 101.32 13.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.395 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -112.37 132.5 54.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.11 -160.1 0.1 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' B' ' 48' ' ' SER . 2.0 m-85 -47.49 -53.26 14.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.599 0.238 . . . . 0.0 111.014 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.45 -109.11 2.92 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.514 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 27.0 p -109.32 102.49 11.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.683 0.278 . . . . 0.0 110.386 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.92 177.96 10.59 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.709 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.58 122.08 25.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.14 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 173.45 7.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.955 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 81.1 Cg_exo -45.32 173.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.793 2.328 . . . . 0.0 113.391 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -148.86 111.49 4.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.817 -1.083 . . . . 0.0 108.586 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.62 95.37 0.47 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.68 68.83 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.141 0.496 . . . . 0.0 109.955 -178.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.33 101.07 2.69 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.14 99.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 110.718 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.76 150.28 47.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.599 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.22 92.99 0.18 Allowed Glycine 0 CA--C 1.527 0.802 0 C-N-CA 120.976 -0.631 . . . . 0.0 111.586 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.33 130.32 2.89 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -92.14 55.09 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.721 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.83 68.76 0.53 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.901 0.381 . . . . 0.0 110.861 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.75 88.9 2.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.124 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.76 122.22 32.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.54 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.65 -179.01 6.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.009 0.433 . . . . 0.0 111.108 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.23 143.19 25.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.847 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.26 -175.25 1.37 Allowed 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.582 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -161.48 170.81 19.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.718 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.17 112.57 4.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.527 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -121.74 98.93 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.34 53.33 0.11 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.99 104.88 16.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.562 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.29 143.61 37.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.749 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.34 119.76 20.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.494 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.72 -163.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.582 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 56.4 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.547 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.695 0.283 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.52 118.2 14.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.745 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -120.1 132.57 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.23 126.21 10.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.213 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -54.21 -54.26 42.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . 0.403 ' HB2' ' CZ ' ' C' ' 66' ' ' TYR . 7.2 p -132.11 -100.4 0.28 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.08 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.33 52.48 23.2 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.333 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.28 -166.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.786 0.327 . . . . 0.0 110.796 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.93 -52.94 1.22 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.94 -82.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.642 0.258 . . . . 0.0 110.373 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 78.5 p -129.48 127.25 40.48 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.783 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 36.3 t -100.73 123.61 45.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.268 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.49 143.9 27.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 111.046 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.49 26.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.293 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -86.5 -178.89 6.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.44 44.18 21.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.05 -176.28 42.06 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -100.28 26.0 7.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.398 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 69.4 m -54.38 136.89 43.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.85 103.99 16.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.532 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -94.06 101.24 13.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.453 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -112.25 132.56 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.27 -160.0 0.1 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' C' ' 48' ' ' SER . 2.0 m-85 -47.57 -53.2 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.564 0.221 . . . . 0.0 110.994 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.42 -109.17 2.94 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.34 102.44 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.732 0.301 . . . . 0.0 110.366 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.87 178.03 10.52 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.682 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.6 122.05 25.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.166 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.18 173.52 7.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.965 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' D' ' 72' ' ' PRO . 80.6 Cg_exo -45.26 173.35 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.752 2.301 . . . . 0.0 113.381 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.02 111.4 4.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.495 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.8 95.3 0.48 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.62 68.91 0.42 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.214 0.53 . . . . 0.0 109.993 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.31 101.03 2.68 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.19 99.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.059 0.457 . . . . 0.0 110.767 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.69 150.24 47.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.575 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.26 93.02 0.18 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.506 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.31 130.3 2.89 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -92.09 55.17 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.703 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.87 68.66 0.53 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.49 107.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.75 88.88 2.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.095 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.67 122.11 32.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.62 -178.96 6.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.24 143.22 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.917 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.25 -175.32 1.39 Allowed 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.628 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.44 170.8 19.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.71 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.12 112.65 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.464 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -121.85 99.06 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.43 53.34 0.11 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.95 104.93 16.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.708 0.29 . . . . 0.0 110.629 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.36 143.58 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.74 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 24.3 m -133.3 119.58 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.81 -163.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.615 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.774 0.321 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 44.6 t -136.48 118.31 15.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.789 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 91.9 m -120.26 132.52 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.15 126.25 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.208 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 17.5 m -54.24 -54.15 43.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.982 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . 0.402 ' HB2' ' CZ ' ' D' ' 66' ' ' TYR . 6.7 p -132.31 -100.15 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.15 52.67 21.83 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.402 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.33 -166.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 110.625 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 -53.03 1.21 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.86 -82.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.599 0.237 . . . . 0.0 110.372 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 78.7 p -129.52 127.27 40.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.379 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.84 123.66 45.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.231 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -97.49 143.82 27.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.994 0.426 . . . . 0.0 111.086 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.35 26.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.272 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.9 m -86.53 -178.92 6.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.937 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.46 44.24 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.04 -176.23 42.06 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -100.4 25.99 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.301 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.31 136.85 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.84 103.92 16.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.52 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.01 101.26 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.447 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -112.4 132.46 55.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.962 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.0 -160.12 0.09 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' D' ' 48' ' ' SER . 2.0 m-85 -47.51 -53.01 15.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.569 0.224 . . . . 0.0 111.093 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.15 -109.01 2.93 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.41 102.23 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.712 0.291 . . . . 0.0 110.549 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.74 178.05 10.52 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.748 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 42.5 t -131.6 122.07 25.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.148 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.24 173.53 7.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.903 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 80.3 Cg_exo -45.26 173.36 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.699 2.266 . . . . 0.0 113.455 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.03 111.39 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.483 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.74 95.28 0.48 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.57 69.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.195 0.522 . . . . 0.0 109.955 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.37 101.1 2.69 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.09 99.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.117 0.484 . . . . 0.0 110.854 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.64 150.22 47.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.725 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.25 93.02 0.18 Allowed Glycine 0 CA--C 1.527 0.799 0 C-N-CA 121.012 -0.614 . . . . 0.0 111.606 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.23 130.28 2.9 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -92.06 55.19 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.8 68.65 0.53 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.968 0.414 . . . . 0.0 110.855 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.72 88.92 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.124 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.7 122.16 32.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.644 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 72.3 m -149.69 -178.98 6.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.961 0.41 . . . . 0.0 111.094 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -149.2 143.19 25.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.913 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.28 -175.26 1.37 Allowed 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.651 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.5 170.74 19.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.729 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.1 112.55 4.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.474 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -121.93 99.0 6.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.38 53.45 0.11 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.97 104.75 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.749 0.309 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.28 143.55 37.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.742 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.21 119.67 20.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.77 -163.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.577 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.716 0.293 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -136.57 118.28 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.722 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -120.19 132.41 55.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -149.91 127.14 11.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.31 0.576 . . . . 0.0 110.207 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 16.6 m -56.08 -53.77 52.98 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.122 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . 0.404 ' HB2' ' CZ ' ' E' ' 66' ' ' TYR . 7.4 p -130.56 -100.16 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.696 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 51.22 48.92 45.9 Favored Glycine 0 C--N 1.341 0.832 0 C-N-CA 119.739 -1.22 . . . . 0.0 111.806 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.49 -166.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.16 0.505 . . . . 0.0 110.3 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.64 -52.76 1.18 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -162.63 -84.42 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -128.51 127.52 42.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.895 0.378 . . . . 0.0 110.482 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 33.7 t -101.74 123.69 46.13 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.091 0.472 . . . . 0.0 109.867 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.5 143.91 27.73 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.49 26.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.276 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 60.1 m -86.56 -179.02 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.939 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.65 44.13 21.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.04 -176.26 42.05 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.33 25.92 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.365 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 69.5 m -54.16 136.87 41.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.731 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.86 103.89 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.07 101.33 13.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.413 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -112.36 132.43 55.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.721 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.3 -161.89 0.11 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' E' ' 48' ' ' SER . 2.0 m-85 -46.39 -53.87 10.17 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 120.659 0.266 . . . . 0.0 110.778 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.7 -109.06 2.88 Favored Glycine 0 N--CA 1.466 0.651 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 27.3 p -109.71 102.4 11.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.985 0.462 . . . . 0.0 110.083 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.91 178.13 10.41 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.734 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 41.8 t -131.98 122.93 26.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 118.822 -0.608 . . . . 0.0 110.148 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.19 173.54 7.14 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 125.23 1.582 . . . . 0.0 109.325 -178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . 0.413 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 83.0 Cg_exo -45.57 173.59 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.681 2.254 . . . . 0.0 113.27 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.74 114.15 5.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.627 -1.17 . . . . 0.0 107.913 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.19 95.16 0.37 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 67.51 67.57 0.38 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.499 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.36 104.51 3.05 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 119.729 -1.224 . . . . 0.0 110.101 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.99 101.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.467 0.651 . . . . 0.0 110.589 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.39 149.89 49.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.427 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.46 91.2 0.18 Allowed Glycine 0 CA--C 1.536 1.401 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.754 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.83 129.44 2.78 Favored Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -90.42 55.44 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.976 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.54 68.83 0.52 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.9 108.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.96 0.41 . . . . 0.0 110.662 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.9 87.94 2.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.067 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.37 121.25 30.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.519 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 72.6 m -149.28 -179.1 6.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.059 0.457 . . . . 0.0 111.084 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.13 143.18 25.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.886 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.32 -175.19 1.35 Allowed 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.536 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.02 171.32 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.731 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.32 112.54 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.782 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -121.14 98.21 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.9 52.72 0.1 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -96.12 104.77 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.649 0.262 . . . . 0.0 110.742 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.31 143.51 37.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.741 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 23.9 m -133.04 119.47 20.09 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.264 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.84 -163.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 56.2 t80 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.555 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.721 0.296 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.5 118.11 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.709 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 92.3 m -120.02 132.72 55.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.763 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -150.33 126.23 10.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.292 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.19 -54.52 38.74 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.896 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . 0.4 ' HB2' ' CZ ' ' F' ' 66' ' ' TYR . 6.8 p -131.96 -100.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.28 52.54 22.82 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.332 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.26 -166.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.94 -52.98 1.22 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.97 -82.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.6 127.38 40.52 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.818 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.94 123.65 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.189 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.36 143.92 27.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.46 26.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.333 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.8 m -86.5 -178.94 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.52 44.17 21.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.03 -176.26 42.04 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.33 26.02 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.403 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 69.7 m -54.35 136.98 42.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.94 104.02 16.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.16 101.24 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.417 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -112.17 132.67 54.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.28 -159.88 0.1 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' F' ' 48' ' ' SER . 2.0 m-85 -47.48 -53.51 14.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.62 0.248 . . . . 0.0 110.969 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.61 -109.28 2.93 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.23 102.67 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.704 0.287 . . . . 0.0 110.354 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.97 178.12 10.41 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.039 -0.665 . . . . 0.0 111.74 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -131.69 122.0 25.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.128 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.23 173.57 7.3 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.965 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . 0.409 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 81.4 Cg_exo -45.32 173.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.754 2.303 . . . . 0.0 113.377 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.07 111.3 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.779 -1.101 . . . . 0.0 108.49 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.83 95.38 0.48 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.81 68.59 0.41 Allowed 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 121.168 0.509 . . . . 0.0 109.972 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.14 101.09 2.68 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.08 99.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 110.774 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.59 150.28 47.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.625 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.23 93.06 0.18 Allowed Glycine 0 CA--C 1.527 0.842 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.603 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.31 130.3 2.89 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -92.12 55.23 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.956 0.408 . . . . 0.0 110.667 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.91 68.64 0.53 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.45 107.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.928 0.394 . . . . 0.0 110.913 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.77 88.84 2.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.173 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.73 122.14 32.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.65 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 71.8 m -149.53 -178.9 6.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.954 0.406 . . . . 0.0 111.081 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -149.27 143.21 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.861 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.23 -175.14 1.36 Allowed 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 120.311 -0.555 . . . . 0.0 111.624 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.64 170.83 19.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.16 112.5 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.526 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.66 99.04 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.31 53.48 0.11 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.03 104.82 16.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.735 0.303 . . . . 0.0 110.613 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.27 143.58 38.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.722 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 23.9 m -133.24 119.66 20.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.597 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.68 -163.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.605 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.592 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.745 0.307 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 44.6 t -136.57 118.2 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.727 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -120.14 132.59 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.788 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -150.16 126.15 10.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.269 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -54.16 -54.34 41.0 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.955 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . 0.401 ' HB2' ' CZ ' ' G' ' 66' ' ' TYR . 6.9 p -132.08 -100.21 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.11 52.61 21.86 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.393 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.31 -166.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 -53.08 1.2 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.88 -82.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.612 0.244 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.51 127.4 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -100.91 123.59 45.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.228 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -97.48 143.89 27.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.991 0.424 . . . . 0.0 111.047 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.39 26.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.341 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 60.2 m -86.45 -178.97 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.953 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.6 44.05 21.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.871 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.06 -176.33 42.05 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.3 26.02 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.376 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -54.33 137.03 42.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.722 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.96 103.86 15.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.572 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.03 101.29 13.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.466 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -112.28 132.66 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.23 -160.03 0.1 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . 0.401 ' CZ ' ' HB2' ' G' ' 48' ' ' SER . 2.0 m-85 -47.47 -53.3 14.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.571 0.224 . . . . 0.0 111.05 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.42 -109.07 2.91 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -109.41 102.54 11.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.31 . . . . 0.0 110.332 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.92 178.15 10.39 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.745 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 42.4 t -131.71 121.98 25.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.077 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 173.53 7.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . 0.409 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 82.5 Cg_exo -45.34 173.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.829 2.353 . . . . 0.0 113.348 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.01 111.4 4.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.45 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.75 95.39 0.48 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.59 68.88 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.23 0.538 . . . . 0.0 109.962 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.25 101.18 2.7 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.1 99.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.036 0.446 . . . . 0.0 110.779 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.76 150.27 47.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.627 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.21 92.96 0.18 Allowed Glycine 0 CA--C 1.529 0.918 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.536 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.34 130.44 2.9 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -92.21 55.25 2.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.407 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.9 68.66 0.53 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.47 107.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.964 0.411 . . . . 0.0 110.895 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.71 88.92 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.139 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.7 122.07 31.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.675 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.57 -178.89 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.411 . . . . 0.0 111.132 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -149.27 143.16 25.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.854 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.12 -175.16 1.39 Allowed 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.627 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -161.55 170.75 19.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.751 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.11 112.68 4.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.87 99.0 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.36 53.43 0.11 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.97 104.79 16.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.578 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.26 143.6 38.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.761 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 24.6 m -133.3 119.7 20.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.503 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.7 -163.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.518 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.639 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.747 0.308 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.49 118.26 15.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.714 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 92.2 m -120.19 132.61 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.782 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.24 126.27 10.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.243 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.29 -54.32 41.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.949 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . 0.402 ' HB2' ' CZ ' ' H' ' 66' ' ' TYR . 6.9 p -132.01 -100.33 0.29 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.26 52.48 22.91 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.376 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.34 -166.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.78 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.03 -53.11 1.2 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.89 -82.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.617 0.246 . . . . 0.0 110.362 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.49 127.4 40.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.85 123.6 45.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.218 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -97.45 143.9 27.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.4 26.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.301 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 60.5 m -86.45 -179.03 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.935 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.65 44.11 21.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.98 -176.28 42.01 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.26 25.95 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.419 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -54.2 136.92 42.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.9 103.88 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.03 101.27 13.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.422 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.5 m -112.28 132.62 54.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.784 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.16 -159.93 0.1 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' H' ' 48' ' ' SER . 2.0 m-85 -47.62 -53.27 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.518 0.199 . . . . 0.0 110.999 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.45 -109.22 2.94 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.492 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 27.0 p -109.36 102.56 11.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.739 0.304 . . . . 0.0 110.393 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.86 178.08 10.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.75 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.67 122.06 25.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.145 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.26 173.48 7.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.958 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . 0.408 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 81.7 Cg_exo -45.28 173.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.722 2.281 . . . . 0.0 113.372 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.03 111.39 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.544 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.79 95.36 0.48 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.62 68.91 0.42 Allowed 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 121.235 0.541 . . . . 0.0 109.945 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.38 101.1 2.69 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.19 99.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.008 0.433 . . . . 0.0 110.729 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.56 150.35 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.661 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.3 93.04 0.18 Allowed Glycine 0 CA--C 1.528 0.845 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.575 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.3 130.39 2.9 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -92.07 55.27 2.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.937 0.398 . . . . 0.0 110.752 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.92 68.7 0.53 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.49 107.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.0 110.867 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.76 88.92 2.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.068 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.75 122.09 31.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.53 -178.98 6.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.024 0.44 . . . . 0.0 111.159 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -149.18 143.12 25.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.859 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.16 -175.23 1.4 Allowed 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.649 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.7 p -161.52 170.69 19.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.704 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.03 112.61 4.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.554 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.91 99.17 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.21 53.53 0.11 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.0 104.78 16.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 110.573 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.26 143.61 38.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.713 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 24.3 m -133.31 119.69 20.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.491 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.64 -163.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 56.3 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.552 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.698 0.285 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.41 118.68 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.714 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 90.8 m -120.75 132.67 55.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.51 . . . . 0.0 110.697 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.2 127.07 11.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.25 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -55.35 -54.14 47.33 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.805 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . 0.401 ' HB2' ' CZ ' ' I' ' 66' ' ' TYR . 6.2 p -132.03 -99.21 0.3 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.37 52.7 18.09 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.403 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.55 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.892 0.377 . . . . 0.0 110.731 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.66 -53.25 1.14 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.66 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.605 0.241 . . . . 0.0 110.411 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.54 127.71 41.3 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.643 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 35.9 t -101.09 123.64 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.229 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.53 143.84 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 111.095 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.35 26.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.32 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -86.5 -179.04 6.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.907 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 57.68 44.16 21.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.0 -176.27 42.03 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.28 25.94 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.416 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 69.9 m -54.3 137.0 42.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.736 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.91 103.93 16.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -94.19 101.24 13.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.379 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -112.11 132.89 54.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.757 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.48 -159.83 0.11 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . 0.401 ' CZ ' ' HB2' ' I' ' 48' ' ' SER . 2.1 m-85 -47.8 -53.13 16.39 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.881 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.51 -109.43 2.98 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.442 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 27.6 p -109.25 102.52 11.45 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.99 178.16 10.37 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.407 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -131.56 122.57 26.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.997 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.47 173.39 7.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.771 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -45.51 173.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.71 2.273 . . . . 0.0 113.263 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.16 111.71 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.545 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.65 95.61 0.47 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.58 68.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 109.972 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.84 101.49 2.71 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.86 99.55 0.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 110.602 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.15 150.95 44.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.55 93.14 0.18 Allowed Glycine 0 CA--C 1.528 0.856 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.499 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.18 130.51 2.92 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -92.19 55.75 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.854 0.359 . . . . 0.0 110.593 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.19 68.74 0.52 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.47 107.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 110.862 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.83 88.81 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.112 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.57 122.11 32.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 71.9 m -149.57 -179.3 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.99 0.424 . . . . 0.0 111.193 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -148.94 143.18 26.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.911 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.35 -175.57 1.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.559 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.3 p -161.13 170.8 19.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.8 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.88 112.61 4.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.486 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -122.11 99.74 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.134 0.493 . . . . 0.0 110.748 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.78 53.93 0.11 Allowed Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.344 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.0 104.73 16.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.698 0.285 . . . . 0.0 110.639 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.35 143.58 37.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.79 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.34 119.74 20.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.67 -163.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.532 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.593 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.799 0.333 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.6 t -67.19 137.67 56.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.409 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.2 m -120.39 130.54 54.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.969 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -146.38 124.08 11.86 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.801 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.76 -52.01 16.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 111.439 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -132.47 -179.49 5.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.693 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.03 69.2 1.42 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 31.81 71.03 0.09 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.104 0.532 . . . . 0.0 112.199 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.33 95.16 0.35 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.76 88.82 0.11 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.57 149.31 25.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.46 137.47 42.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.19 105.21 14.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.442 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.4 m -119.85 23.43 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.27 151.63 45.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.68 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -111.2 133.61 53.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.569 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.37 93.48 0.17 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -138.87 146.4 41.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.469 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.3 144.75 46.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.11 58.53 5.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.41 132.46 39.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.448 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.5 m -133.75 134.87 43.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.014 0.435 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 -160.56 0.71 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.36 -62.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.4 . . . . 0.0 111.178 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -94.53 0.9 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 96' ' ' SER . 20.6 p -116.33 112.09 21.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.168 0.508 . . . . 0.0 110.552 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.472 HE22 HG23 ' A' ' 71' ' ' THR . 7.1 tm0? -161.6 133.26 5.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.547 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.2 m -106.88 125.01 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.745 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -82.94 173.49 7.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.94 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' A' ' 71' ' ' THR . 61.7 Cg_exo -49.7 -179.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.744 2.296 . . . . 0.0 113.485 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.454 ' H ' ' H ' ' B' ' 74' ' ' GLY . 1.3 tp60 -144.64 111.61 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.207 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.66 -83.5 0.33 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -103.3 -53.24 2.85 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.599 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.84 120.08 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.63 89.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.746 0.308 . . . . 0.0 110.22 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.488 HG21 ' CE2' ' B' ' 75' ' ' TYR . 0.2 OUTLIER -75.69 101.57 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.138 0.494 . . . . 0.0 110.841 -179.613 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.53 -149.55 12.13 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.03 72.88 0.4 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.54 141.44 25.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.15 -47.83 0.7 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.11 133.18 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.6 t -136.19 96.88 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.213 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.96 98.66 6.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.333 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 t -144.5 165.1 28.93 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.475 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.2 m -142.34 116.67 9.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.362 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.58 -177.35 4.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 111.176 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.45 174.95 5.7 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.576 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -147.07 147.31 30.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.158 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -107.38 -76.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.131 0.491 . . . . 0.0 111.213 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.52 67.52 0.96 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.47 116.56 29.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.539 0.209 . . . . 0.0 110.546 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.08 157.27 7.71 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.445 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.3 m -114.51 135.01 54.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.348 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.452 ' HB2' HG22 ' A' ' 68' ' ' THR . 7.9 t 59.96 -164.58 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.53 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.522 -179.926 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.955 0.407 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 26.1 t -67.06 137.68 56.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.512 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.3 m -120.29 130.66 54.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.062 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.44 124.07 11.81 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.157 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.89 -52.43 14.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 111.425 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -132.1 -178.94 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.793 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.39 70.48 1.24 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.34 71.63 0.07 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.85 95.22 0.39 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.8 88.53 0.11 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.931 0.396 . . . . 0.0 110.118 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.49 149.2 25.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.631 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.44 137.42 42.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -110.15 105.22 14.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 67.5 m -119.92 23.48 11.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.2 m -70.25 151.72 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.721 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -111.3 133.74 53.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.512 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.17 93.71 0.16 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.05 146.42 40.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.73 0.3 . . . . 0.0 110.407 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -135.3 144.73 46.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.05 58.58 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.39 132.4 39.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.487 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 52.7 m -133.52 134.93 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.82 -160.48 0.73 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.57 -62.47 1.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 111.028 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.66 -94.52 0.9 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.452 HG22 ' HB2' ' B' ' 96' ' ' SER . 21.2 p -116.16 112.15 21.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.888 0.375 . . . . 0.0 110.521 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.47 HE22 HG23 ' B' ' 71' ' ' THR . 6.9 tm0? -161.59 133.12 5.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.541 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -106.52 124.91 50.32 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -82.48 173.83 6.99 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.819 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' B' ' 71' ' ' THR . 70.0 Cg_exo -49.39 -177.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.782 2.321 . . . . 0.0 113.452 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.463 ' H ' ' H ' ' C' ' 74' ' ' GLY . 1.4 tp60 -147.07 110.6 4.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.118 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . 0.454 ' H ' ' H ' ' A' ' 73' ' ' GLN . . . 129.65 -83.52 0.32 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.488 ' CE2' HG21 ' A' ' 78' ' ' THR . 1.9 m-85 -102.7 -53.35 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.698 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.98 120.58 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.25 89.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.733 0.301 . . . . 0.0 110.226 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.487 HG21 ' CE2' ' C' ' 75' ' ' TYR . 0.2 OUTLIER -75.36 101.5 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.857 -179.607 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.67 -149.03 11.83 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.97 72.95 0.39 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.57 141.6 25.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.102 0.477 . . . . 0.0 111.343 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.13 -47.64 0.71 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.14 133.27 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.738 0.304 . . . . 0.0 110.501 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -136.3 96.91 3.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.163 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.95 98.38 6.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.366 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.05 165.14 28.61 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.506 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 64.7 m -142.39 116.61 9.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.403 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.63 -177.42 4.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.005 0.431 . . . . 0.0 111.239 -178.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 79.2 p -169.41 174.98 5.71 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.694 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.98 147.21 30.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.31 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -107.76 -76.81 0.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.075 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.4 67.94 0.96 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.36 116.34 29.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.547 0.213 . . . . 0.0 110.639 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.13 157.0 7.47 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.523 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.9 m -114.19 135.17 54.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.42 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . 0.452 ' HB2' HG22 ' B' ' 68' ' ' THR . 7.9 t 59.98 -164.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.611 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.908 0.385 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -66.96 137.73 56.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.522 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -120.33 130.55 54.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.025 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -146.37 124.06 11.86 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.233 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.98 -52.41 14.59 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.404 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.06 -178.72 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.872 0.367 . . . . 0.0 110.744 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.23 70.58 1.23 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 30.27 71.72 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.92 95.18 0.39 Allowed Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.96 88.53 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.013 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -155.56 149.17 25.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 42.3 t -135.34 137.46 42.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.18 105.22 14.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 67.6 m -119.9 23.52 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.796 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.2 151.63 45.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.723 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -111.22 133.74 53.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.544 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.25 93.72 0.16 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.14 146.32 40.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 110.395 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -135.26 144.77 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.12 58.5 5.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.4 132.45 39.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.479 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 52.8 m -133.61 134.97 43.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -160.42 0.75 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -62.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.646 0.26 . . . . 0.0 110.995 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.75 -94.64 0.9 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.452 HG22 ' HB2' ' C' ' 96' ' ' SER . 21.1 p -116.15 112.22 21.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.496 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . 0.472 HE22 HG23 ' C' ' 71' ' ' THR . 6.9 tm0? -161.61 133.2 5.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.494 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -106.53 124.92 50.33 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.492 HG22 ' CD ' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -82.53 173.98 6.76 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.829 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . 0.492 ' CD ' HG22 ' C' ' 71' ' ' THR . 72.9 Cg_exo -49.46 -177.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.843 2.362 . . . . 0.0 113.378 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . 0.461 ' H ' ' H ' ' D' ' 74' ' ' GLY . 1.4 tp60 -147.18 110.62 4.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.074 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . 0.463 ' H ' ' H ' ' B' ' 73' ' ' GLN . . . 129.64 -83.54 0.32 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . 0.487 ' CE2' HG21 ' B' ' 78' ' ' THR . 1.9 m-85 -102.77 -53.26 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.675 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.98 120.52 0.01 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.38 89.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.483 HG21 ' CE2' ' D' ' 75' ' ' TYR . 0.2 OUTLIER -75.47 101.59 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.557 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.7 -149.06 11.83 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.01 72.92 0.4 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.51 141.65 24.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.121 0.486 . . . . 0.0 111.32 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.09 -47.62 0.71 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.09 133.21 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.746 0.307 . . . . 0.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.0 t -136.28 96.9 3.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.218 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.93 98.32 6.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.437 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.03 165.13 28.64 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.499 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 64.9 m -142.33 116.56 9.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.378 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.38 4.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.945 0.402 . . . . 0.0 111.275 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.3 p -169.42 174.96 5.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -146.96 147.21 30.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.265 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.79 -76.95 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.114 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.25 67.99 0.99 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.38 116.33 29.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.592 0.234 . . . . 0.0 110.636 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.07 156.98 7.52 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.533 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -114.2 135.04 54.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.523 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . 0.452 ' HB2' HG22 ' C' ' 68' ' ' THR . 7.9 t 60.11 -164.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.456 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.591 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.908 0.385 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 25.8 t -67.03 137.8 56.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.533 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -120.47 130.31 54.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.149 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.18 124.2 12.09 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.177 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.13 -52.3 14.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.878 0.37 . . . . 0.0 111.373 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.13 -178.83 5.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.915 0.388 . . . . 0.0 110.807 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.26 70.63 1.22 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.25 71.87 0.06 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.96 95.24 0.4 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.86 88.6 0.11 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.07 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.63 149.2 25.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.4 137.43 42.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -110.16 105.15 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.509 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 68.1 m -119.82 23.52 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.759 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.24 151.67 45.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.727 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -111.19 133.77 53.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.17 93.77 0.16 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -139.16 146.29 40.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.673 0.273 . . . . 0.0 110.455 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 70.7 m -135.28 144.75 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.779 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.24 58.39 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.38 132.57 39.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.377 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 51.9 m -133.99 134.84 42.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.038 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.73 -160.4 0.7 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -62.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.649 0.261 . . . . 0.0 111.024 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.36 -94.53 0.91 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . 0.45 HG22 ' HB2' ' D' ' 96' ' ' SER . 21.1 p -116.11 112.25 21.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.348 . . . . 0.0 110.695 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . 0.47 HE22 HG23 ' D' ' 71' ' ' THR . 6.9 tm0? -161.76 133.08 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.509 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -106.56 124.84 50.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.801 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . 0.491 HG22 ' CD ' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -82.53 173.95 6.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.874 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . 0.491 ' CD ' HG22 ' D' ' 71' ' ' THR . 70.4 Cg_exo -49.45 -177.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.798 2.332 . . . . 0.0 113.451 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . 0.489 ' H ' ' H ' ' E' ' 74' ' ' GLY . 1.3 tp60 -147.13 110.56 4.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.125 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . 0.461 ' H ' ' H ' ' C' ' 73' ' ' GLN . . . 129.62 -83.49 0.32 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . 0.483 ' CE2' HG21 ' C' ' 78' ' ' THR . 1.9 m-85 -102.71 -53.42 2.87 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.672 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.15 120.64 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.35 89.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.326 . . . . 0.0 110.231 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . 0.486 HG21 ' CE2' ' E' ' 75' ' ' TYR . 0.2 OUTLIER -75.22 101.35 4.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.981 -179.477 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.67 -149.04 11.84 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.9 73.06 0.38 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.56 141.63 24.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.096 0.474 . . . . 0.0 111.307 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.08 -47.48 0.72 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.01 133.3 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -136.29 96.89 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.183 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.96 98.38 6.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.406 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.11 165.08 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.559 -0.457 . . . . 0.0 111.435 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 64.4 m -142.34 116.6 9.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.351 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.54 -177.16 4.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.903 0.382 . . . . 0.0 111.261 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 78.9 p -169.56 174.87 5.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.679 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -146.89 147.07 30.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.272 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.75 -76.63 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.25 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.51 68.07 0.94 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.37 116.2 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.533 0.206 . . . . 0.0 110.699 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.01 156.98 7.6 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.496 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.18 135.12 54.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.459 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . 0.45 ' HB2' HG22 ' D' ' 68' ' ' THR . 7.9 t 59.92 -164.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.467 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.615 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.955 0.407 . . . . 0.0 110.641 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 25.9 t -67.07 137.82 56.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.467 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -120.41 130.61 54.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.028 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -146.59 125.04 12.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 111.408 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -76.63 -49.18 16.85 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 119.248 -0.981 . . . . 0.0 111.559 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 7.7 t -130.81 -179.04 5.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.849 0.356 . . . . 0.0 111.284 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 75.0 70.88 1.2 Allowed Glycine 0 C--O 1.222 -0.625 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' E' ' 49' ' ' GLY . 12.1 m-85 26.87 76.44 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.281 0.632 . . . . 0.0 111.151 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.5 92.87 0.44 Allowed Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 68.78 88.77 0.11 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.95 0.405 . . . . 0.0 109.991 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.56 149.27 25.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.561 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.36 137.55 42.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.548 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -110.25 105.23 14.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.504 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 67.8 m -119.89 23.56 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -70.28 151.67 45.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.674 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.19 133.77 53.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.534 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.22 93.63 0.16 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -138.98 146.36 40.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.7 0.286 . . . . 0.0 110.453 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -135.35 144.77 46.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.742 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 48.83 59.1 4.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.72 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.88 132.63 39.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.306 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -133.73 134.92 43.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.18 -161.91 0.72 Allowed Glycine 0 CA--C 1.524 0.609 0 O-C-N 124.389 1.056 . . . . 0.0 110.641 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -45.79 -62.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.686 0.279 . . . . 0.0 111.104 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.94 -94.73 0.9 Allowed Glycine 0 N--CA 1.462 0.409 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . 0.448 HG22 ' HB2' ' E' ' 96' ' ' SER . 21.2 p -116.21 111.94 20.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.675 0.867 . . . . 0.0 110.337 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . 0.472 HE22 HG23 ' E' ' 71' ' ' THR . 6.7 tm0? -161.36 134.24 6.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.272 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 70.7 m -107.55 126.66 52.81 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.41 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . 0.489 HG22 ' CD ' ' E' ' 72' ' ' PRO . 0.0 OUTLIER -83.7 173.9 6.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 O-C-N 124.202 0.939 . . . . 0.0 109.511 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . 0.489 ' CD ' HG22 ' E' ' 71' ' ' THR . 66.3 Cg_exo -49.17 -178.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 123.133 2.555 . . . . 0.0 113.353 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . 0.469 ' H ' ' H ' ' F' ' 74' ' ' GLY . 1.5 tp60 -145.9 114.1 6.62 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.857 -1.065 . . . . 0.0 108.494 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . 0.489 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 127.3 -84.8 0.33 Allowed Glycine 0 CA--C 1.535 1.286 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . 0.486 ' CE2' HG21 ' D' ' 78' ' ' THR . 1.9 m-85 -102.23 -52.39 3.15 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.812 0.306 . . . . 0.0 110.904 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.52 120.99 0.01 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 2.5 t 48.17 91.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . 0.482 HG21 ' CE2' ' F' ' 75' ' ' TYR . 0.2 OUTLIER -76.45 102.51 6.03 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.611 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.2 -148.78 11.37 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.85 72.82 0.41 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.82 140.86 28.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.256 0.551 . . . . 0.0 111.186 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.56 -44.61 0.82 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 168.8 133.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.851 0.358 . . . . 0.0 110.398 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 14.0 t -136.4 96.35 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.368 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.43 97.2 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.609 0.568 . . . . 0.0 110.286 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -143.45 164.95 28.88 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.441 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 64.8 m -142.32 116.69 9.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.437 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.95 -177.58 5.05 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.131 -178.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 79.6 p -169.16 175.46 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.603 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -147.15 147.15 30.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.326 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -107.53 -76.59 0.61 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.376 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.37 67.45 0.99 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -96.21 115.8 28.0 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.0 -0.118 . . . . 0.0 110.936 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -168.56 157.2 8.55 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.56 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -114.16 134.88 54.6 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.146 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . 0.448 ' HB2' HG22 ' E' ' 68' ' ' THR . 7.9 t 60.34 -164.54 0.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.621 1.201 . . . . 0.0 110.416 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.55 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.46 0.048 0 CA-C-O 120.962 0.411 . . . . 0.0 110.668 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 26.2 t -66.98 137.73 56.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.553 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -120.31 130.7 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.04 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -146.56 124.19 11.81 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.25 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.89 -52.59 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.396 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.01 -178.97 5.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.936 0.398 . . . . 0.0 110.787 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.36 70.79 1.2 Allowed Glycine 0 C--O 1.224 -0.52 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 29.97 71.81 0.06 Allowed 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.98 95.07 0.39 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.98 88.53 0.11 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.885 0.374 . . . . 0.0 110.057 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.52 149.23 25.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 42.3 t -135.47 137.42 42.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -110.14 105.13 14.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -119.8 23.48 11.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 75.5 m -70.32 151.71 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.65 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.29 133.72 53.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.474 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.29 93.62 0.16 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.07 146.41 40.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 110.377 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.34 144.73 46.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.758 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.17 58.54 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.54 132.41 39.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.42 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 53.6 m -133.44 135.23 44.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.99 -160.38 0.77 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.62 -62.7 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.663 0.268 . . . . 0.0 110.886 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.85 -94.74 0.91 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . 0.447 HG22 ' HB2' ' F' ' 96' ' ' SER . 21.2 p -115.92 112.35 21.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 110.453 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . 0.471 HE22 HG23 ' F' ' 71' ' ' THR . 6.9 tm0? -161.71 133.18 5.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.466 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -106.55 124.79 50.14 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.813 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -82.45 173.88 6.91 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.855 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' F' ' 71' ' ' THR . 70.8 Cg_exo -49.4 -177.39 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.798 2.332 . . . . 0.0 113.465 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . 0.468 ' H ' ' H ' ' G' ' 74' ' ' GLY . 1.3 tp60 -147.16 110.46 4.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.139 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . 0.469 ' H ' ' H ' ' E' ' 73' ' ' GLN . . . 129.68 -83.53 0.32 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -179.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . 0.482 ' CE2' HG21 ' E' ' 78' ' ' THR . 1.9 m-85 -102.53 -53.41 2.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.697 0.284 . . . . 0.0 110.667 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.1 120.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.11 89.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.803 0.335 . . . . 0.0 110.339 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . 0.482 HG21 ' CE2' ' G' ' 75' ' ' TYR . 0.2 OUTLIER -75.35 101.62 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.814 -179.472 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.62 -149.01 11.87 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.9 73.02 0.38 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.59 141.6 25.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.176 0.512 . . . . 0.0 111.237 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.1 -47.67 0.71 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.16 133.27 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.797 0.332 . . . . 0.0 110.542 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t -136.24 96.96 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.137 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.99 98.31 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.405 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.06 165.2 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.511 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 65.0 m -142.39 116.55 9.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.377 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.51 -177.31 4.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.934 0.397 . . . . 0.0 111.334 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.51 174.96 5.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.653 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.96 147.15 30.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.348 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -107.72 -77.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.054 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.18 67.96 1.0 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.27 116.35 29.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.481 0.181 . . . . 0.0 110.62 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.12 157.05 7.51 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.582 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.29 135.21 54.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.464 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . 0.447 ' HB2' HG22 ' F' ' 68' ' ' THR . 7.9 t 59.89 -164.52 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.493 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.565 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.46 0.043 0 CA-C-O 120.899 0.381 . . . . 0.0 110.655 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 25.9 t -66.92 137.68 56.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.474 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 95.0 m -120.3 130.53 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.028 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.39 124.1 11.87 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.185 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.01 -52.39 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.441 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.08 -178.74 5.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.811 0.339 . . . . 0.0 110.789 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.21 70.56 1.23 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 30.34 71.68 0.07 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.89 95.13 0.39 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.87 88.62 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.885 0.374 . . . . 0.0 110.023 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.56 149.17 25.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.62 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -135.49 137.45 42.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.576 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -110.2 105.15 14.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 67.1 m -119.8 23.51 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -70.33 151.71 44.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.664 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -111.28 133.7 53.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.533 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.26 93.65 0.16 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.01 146.41 40.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.741 0.305 . . . . 0.0 110.422 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 70.5 m -135.3 144.79 46.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.941 0.401 . . . . 0.0 110.694 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.12 58.55 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.835 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.48 132.44 39.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.411 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 53.7 m -133.54 134.99 44.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.82 -160.38 0.72 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.58 -62.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 111.025 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.72 -94.63 0.9 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.076 -0.809 . . . . 0.0 111.076 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . 0.445 HG22 ' HB2' ' G' ' 96' ' ' SER . 21.0 p -116.11 112.18 21.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.82 0.343 . . . . 0.0 110.506 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . 0.47 HE22 HG23 ' G' ' 71' ' ' THR . 6.9 tm0? -161.64 133.09 5.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.558 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -106.44 124.9 50.3 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.769 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -82.57 174.03 6.68 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.809 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' G' ' 71' ' ' THR . 71.7 Cg_exo -49.48 -177.36 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.777 2.318 . . . . 0.0 113.429 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . 0.465 ' H ' ' H ' ' H' ' 74' ' ' GLY . 1.3 tp60 -147.15 110.47 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.168 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . 0.468 ' H ' ' H ' ' F' ' 73' ' ' GLN . . . 129.66 -83.43 0.32 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . 0.482 ' CE2' HG21 ' F' ' 78' ' ' THR . 1.9 m-85 -102.7 -53.46 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.778 -0.248 . . . . 0.0 110.728 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.18 120.61 0.01 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 2.3 t 49.32 89.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . 0.483 HG21 ' CE2' ' H' ' 75' ' ' TYR . 0.2 OUTLIER -75.36 101.49 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.831 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.64 -149.02 11.86 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.95 72.99 0.39 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.63 141.68 25.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 111.259 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.06 -47.57 0.71 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.04 133.33 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.844 0.355 . . . . 0.0 110.446 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 13.6 t -136.29 96.94 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.205 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -116.01 98.36 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.393 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 11.3 t -144.03 165.19 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.399 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 64.1 m -142.38 116.6 9.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.391 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.33 4.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.946 0.403 . . . . 0.0 111.325 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 79.0 p -169.46 174.94 5.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.607 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.93 147.14 30.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.342 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.76 -76.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.099 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.25 68.07 0.98 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.4 116.26 29.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.572 0.225 . . . . 0.0 110.614 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -169.06 157.02 7.56 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.558 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -114.16 135.14 54.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.427 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . 0.445 ' HB2' HG22 ' G' ' 68' ' ' THR . 7.9 t 59.83 -164.45 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.609 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.969 0.414 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -67.01 137.77 56.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.501 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -120.36 130.52 54.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.065 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.36 124.17 11.94 Favored 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.209 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.11 -52.44 14.25 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.327 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.06 -178.85 5.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.89 0.376 . . . . 0.0 110.729 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.31 70.55 1.23 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.24 71.76 0.07 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.92 95.13 0.39 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.87 88.61 0.11 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.59 149.22 25.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.43 137.46 42.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -110.22 105.26 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.444 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 67.4 m -119.91 23.43 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.799 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.21 151.63 45.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.701 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.28 133.66 53.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.509 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.31 93.57 0.16 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -138.94 146.38 40.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.681 0.277 . . . . 0.0 110.5 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.35 144.72 46.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.777 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.15 58.51 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.5 132.51 39.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.367 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 52.0 m -133.62 134.97 43.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.84 -160.29 0.72 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -62.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.638 0.256 . . . . 0.0 111.012 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.69 -94.63 0.91 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . 0.443 HG22 ' HB2' ' H' ' 96' ' ' SER . 21.2 p -116.18 112.26 21.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.476 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . 0.47 HE22 HG23 ' H' ' 71' ' ' THR . 6.9 tm0? -161.6 133.16 5.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.465 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -106.6 124.89 50.28 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.709 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -82.49 173.92 6.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.858 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' H' ' 71' ' ' THR . 70.0 Cg_exo -49.41 -177.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.861 2.374 . . . . 0.0 113.414 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . 0.461 ' H ' ' H ' ' I' ' 74' ' ' GLY . 1.3 tp60 -147.23 110.49 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.141 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . 0.465 ' H ' ' H ' ' G' ' 73' ' ' GLN . . . 129.75 -83.52 0.32 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . 0.483 ' CE2' HG21 ' G' ' 78' ' ' THR . 1.9 m-85 -102.62 -53.4 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.678 0.275 . . . . 0.0 110.727 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.1 120.66 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 2.3 t 49.26 89.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.718 0.294 . . . . 0.0 110.302 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . 0.48 HG21 ' CE2' ' I' ' 75' ' ' TYR . 0.2 OUTLIER -75.32 101.61 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.8 -179.439 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.66 -149.01 11.84 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.98 72.97 0.39 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.61 141.59 25.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.106 0.479 . . . . 0.0 111.327 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.18 -47.64 0.71 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.07 133.35 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.808 0.337 . . . . 0.0 110.464 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 13.8 t -136.31 96.94 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.18 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.98 98.24 6.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.383 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -143.93 165.2 28.41 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.522 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 64.9 m -142.34 116.52 9.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.383 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.44 4.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.947 0.404 . . . . 0.0 111.257 -178.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.34 174.97 5.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.68 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.91 147.14 30.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.311 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -107.76 -76.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.26 68.06 0.98 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.31 116.14 28.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.538 0.209 . . . . 0.0 110.752 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -168.94 156.98 7.72 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.526 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.19 135.18 54.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.443 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . 0.443 ' HB2' HG22 ' H' ' 68' ' ' THR . 7.9 t 59.97 -164.53 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.544 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.46 0.074 0 CA-C-O 120.938 0.399 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -66.75 137.98 57.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.446 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -120.66 130.44 54.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.042 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -146.2 125.51 13.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -74.71 -52.65 11.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -131.9 -178.8 5.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.852 0.358 . . . . 0.0 110.802 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.35 70.6 1.23 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.12 72.94 0.05 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.034 0.49 . . . . 0.0 112.141 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.04 94.97 0.47 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.9 87.99 0.12 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.921 0.391 . . . . 0.0 110.127 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.02 149.29 26.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.668 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -135.47 137.52 42.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.483 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -110.22 105.25 14.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.455 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 67.8 m -119.94 23.45 11.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 75.1 m -70.18 151.62 45.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.659 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -111.21 133.65 53.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 93.47 0.16 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -138.85 146.5 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.466 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 70.5 m -135.36 144.77 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.941 0.401 . . . . 0.0 110.718 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.15 58.39 5.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.42 132.52 39.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.437 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 52.0 m -133.52 135.29 44.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.09 -160.18 0.77 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.95 -62.54 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.467 0.175 . . . . 0.0 110.912 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.88 -94.78 0.91 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . 0.444 HG22 ' HB2' ' I' ' 96' ' ' SER . 21.5 p -116.08 112.15 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.47 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . 0.473 HE22 HG23 ' I' ' 71' ' ' THR . 6.9 tm0? -161.65 133.13 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.279 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -106.25 125.44 51.0 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.75 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . 0.485 HG22 ' CD ' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -82.88 173.84 6.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.696 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . 0.485 ' CD ' HG22 ' I' ' 71' ' ' THR . 77.7 Cg_exo -49.65 -176.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.837 2.358 . . . . 0.0 113.234 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -147.43 111.04 4.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.111 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . 0.461 ' H ' ' H ' ' H' ' 73' ' ' GLN . . . 129.78 -83.39 0.32 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . 0.48 ' CE2' HG21 ' H' ' 78' ' ' THR . 1.9 m-85 -102.31 -53.57 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.728 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.4 120.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.16 89.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.731 0.3 . . . . 0.0 110.216 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.13 101.58 4.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.872 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.61 -148.86 11.82 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.97 73.18 0.37 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.88 142.2 25.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.393 0.615 . . . . 0.0 111.078 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.97 -47.34 0.73 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 170.95 133.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.716 0.293 . . . . 0.0 110.525 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 14.3 t -136.35 96.91 3.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.204 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -116.03 98.28 6.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.311 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 11.6 t -144.02 164.65 30.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 111.512 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 63.0 m -141.82 116.67 9.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.481 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.6 -177.3 4.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.941 0.401 . . . . 0.0 111.309 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 79.2 p -169.5 174.98 5.64 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 5.2 p -146.86 147.09 30.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.403 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -108.21 -77.03 0.6 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.03 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.09 68.51 0.99 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -97.57 116.23 29.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.545 0.212 . . . . 0.0 110.677 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -169.09 156.99 7.51 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.485 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 69.3 m -114.38 135.04 54.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . 0.444 ' HB2' HG22 ' I' ' 68' ' ' THR . 7.9 t 60.08 -164.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.457 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.532 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.818 0.342 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -130.33 147.66 52.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.646 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.4 p -134.24 135.1 42.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.3 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -143.1 144.63 32.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.425 HG22 ' N ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -120.07 -53.32 2.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.285 0.565 . . . . 0.0 110.751 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.425 ' N ' HG22 ' A' ' 47' ' ' THR . 54.1 p -132.7 -166.49 1.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.458 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -39.44 3.11 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.445 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.49 -166.62 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.24 -47.38 30.01 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.71 -81.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.945 0.438 . . . . 0.0 110.004 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.5 m -101.67 127.35 48.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.273 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -126.0 131.69 52.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.618 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -92.82 -174.45 3.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.513 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.4 m -138.39 154.76 48.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -163.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.811 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -123.77 24.39 8.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.605 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.0 135.67 2.38 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 53.28 40.86 31.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.685 0.279 . . . . 0.0 110.725 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.87 139.5 46.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.598 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.88 86.03 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.521 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.59 131.4 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.8 m -121.29 127.67 51.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.82 -162.08 0.29 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.29 -57.96 10.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.687 0.28 . . . . 0.0 111.306 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.55 -90.41 0.52 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.4 HG22 ' HB2' ' A' ' 96' ' ' SER . 19.4 p -116.31 110.97 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.25 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.89 160.65 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.484 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.2 m -118.36 122.45 42.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.348 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.42 173.29 6.97 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.101 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -43.72 167.16 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.702 2.268 . . . . 0.0 113.562 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.426 ' H ' ' H ' ' B' ' 74' ' ' GLY . 7.7 mp0 -143.26 111.44 6.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.148 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.72 -82.18 0.33 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.88 92.46 3.91 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.212 0.529 . . . . 0.0 110.456 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.77 -91.14 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.46 140.34 27.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.991 0.424 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.34 101.3 2.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.185 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.16 101.13 0.04 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.46 101.4 0.44 Allowed Glycine 0 CA--C 1.518 0.271 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -91.24 -70.61 0.68 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.058 0.456 . . . . 0.0 110.181 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.6 -59.2 1.22 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.46 136.12 16.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.787 0.327 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.36 101.5 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -131.92 126.81 35.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.779 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.4 p -149.31 175.73 11.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.053 0.454 . . . . 0.0 111.238 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t -147.41 125.44 12.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.06 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.92 175.51 13.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.941 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.3 p -170.98 177.55 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.807 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.0 p -162.38 165.59 26.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.264 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -81.09 -72.69 0.41 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.712 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.27 72.72 0.04 OUTLIER Glycine 0 CA--C 1.528 0.848 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.769 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.4 167.92 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.665 0.269 . . . . 0.0 110.538 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.53 145.31 51.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.22 125.19 46.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.319 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.4 ' HB2' HG22 ' A' ' 68' ' ' THR . 9.9 t 57.2 -163.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.546 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.578 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.803 0.335 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.21 147.59 51.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.739 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 81.6 p -134.29 134.69 42.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.364 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.61 144.29 32.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.749 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.422 HG22 ' N ' ' B' ' 48' ' ' SER . 1.0 OUTLIER -120.23 -53.11 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.066 0.46 . . . . 0.0 110.711 179.75 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.422 ' N ' HG22 ' B' ' 47' ' ' THR . 54.4 p -132.97 -166.44 1.76 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.401 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.65 -39.45 3.11 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.493 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.3 -167.1 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.94 -47.38 32.07 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.68 -81.57 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.932 0.43 . . . . 0.0 109.949 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -101.56 127.36 48.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.319 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.91 131.67 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.662 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -92.77 -174.39 3.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.554 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 63.4 m -138.51 154.75 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.2 -162.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.865 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.21 24.35 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.527 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.06 135.63 2.37 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.29 40.78 31.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.736 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.78 139.58 47.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.92 86.07 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.69 131.46 44.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 82.0 m -121.04 127.79 52.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.99 -162.0 0.3 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.4 -57.94 10.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.447 0.165 . . . . 0.0 111.228 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.78 -90.96 0.54 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.402 HG22 ' HB2' ' B' ' 96' ' ' SER . 19.9 p -115.95 111.01 19.77 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.85 160.6 10.43 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.458 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 61.4 m -118.19 122.24 42.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.88 173.56 6.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.943 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 83.0 Cg_exo -43.68 168.59 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.726 2.284 . . . . 0.0 113.395 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.438 ' H ' ' H ' ' C' ' 74' ' ' GLY . 7.6 mp0 -144.79 110.47 5.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.193 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . 0.426 ' H ' ' H ' ' A' ' 73' ' ' GLN . . . 119.73 -81.95 0.34 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.73 92.48 3.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.819 0.342 . . . . 0.0 110.365 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.84 -90.85 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -145.36 140.32 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.22 100.89 2.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.263 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.96 101.26 0.04 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.43 101.27 0.43 Allowed Glycine 0 CA--C 1.519 0.288 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -91.52 -70.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.188 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.69 -58.98 1.22 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.53 136.27 16.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.746 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.45 101.57 2.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.316 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.16 125.79 32.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -148.18 176.04 10.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.057 0.456 . . . . 0.0 111.311 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 44.6 t -147.43 125.31 11.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.136 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.87 175.54 13.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.388 . . . . 0.0 110.907 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.09 177.47 3.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.757 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 95.2 p -162.2 165.44 26.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -81.16 -72.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.565 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.08 72.53 0.04 OUTLIER Glycine 0 CA--C 1.527 0.794 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.697 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.27 167.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.652 0.263 . . . . 0.0 110.522 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.5 145.29 51.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -121.23 125.3 46.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.256 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . 0.402 ' HB2' HG22 ' B' ' 68' ' ' THR . 9.9 t 57.18 -163.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.594 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.669 0.271 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -130.2 147.54 51.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.723 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.3 134.75 42.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.302 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -142.67 144.31 32.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.719 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . 0.421 HG22 ' N ' ' C' ' 48' ' ' SER . 1.0 OUTLIER -120.16 -53.3 2.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.042 0.449 . . . . 0.0 110.85 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . 0.421 ' N ' HG22 ' C' ' 47' ' ' THR . 54.3 p -132.85 -166.43 1.75 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.437 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.66 -39.57 3.1 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.459 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.4 -167.09 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.97 -47.38 31.91 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.7 -81.66 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.973 0.455 . . . . 0.0 109.962 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 67.3 m -101.58 127.37 48.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.31 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.93 131.7 52.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.616 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -92.86 -174.36 3.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 62.4 m -138.58 154.72 48.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.821 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -162.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.941 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -124.3 24.38 8.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.05 135.69 2.38 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.33 40.72 31.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 0.0 110.719 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.81 139.56 47.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.85 86.11 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.522 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.69 131.47 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.617 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 80.4 m -121.08 127.88 52.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -161.99 0.32 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.36 -58.04 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.543 0.211 . . . . 0.0 111.199 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.82 -90.92 0.54 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.8 p -115.97 111.05 19.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.85 160.61 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.181 -0.607 . . . . 0.0 111.383 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 59.7 m -118.25 122.38 42.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.329 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.9 173.56 6.75 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . 0.401 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 81.5 Cg_exo -43.62 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.662 2.241 . . . . 0.0 113.414 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . 0.437 ' H ' ' H ' ' D' ' 74' ' ' GLY . 7.5 mp0 -144.9 110.45 5.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.188 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' B' ' 73' ' ' GLN . . . 119.88 -82.01 0.34 Allowed Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.78 92.56 3.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 0.0 110.307 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.87 -90.73 0.01 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -145.4 140.38 27.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.438 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.25 100.94 2.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.187 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.07 101.29 0.04 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.41 101.23 0.42 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -91.49 -70.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.373 . . . . 0.0 110.182 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.66 -59.05 1.22 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -152.5 136.28 16.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.32 . . . . 0.0 110.767 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.45 101.57 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.34 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -132.18 125.69 31.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.884 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 92.6 p -148.12 176.02 10.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.957 0.408 . . . . 0.0 111.262 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.4 125.35 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.107 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.92 175.45 13.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.922 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -170.99 177.45 3.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.756 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 96.2 p -162.22 165.49 26.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.45 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -81.14 -72.8 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.18 72.48 0.04 OUTLIER Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.622 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.25 167.79 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.73 0.3 . . . . 0.0 110.48 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.52 145.26 51.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -121.22 125.19 46.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.33 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 10.0 t 57.27 -163.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.479 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 66.9 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.535 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.674 0.273 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.21 147.61 51.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.742 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 81.5 p -134.22 134.78 42.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.456 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.63 144.21 32.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.647 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . 0.425 HG22 ' N ' ' D' ' 48' ' ' SER . 1.0 OUTLIER -120.25 -53.09 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.04 0.448 . . . . 0.0 110.537 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . 0.425 ' N ' HG22 ' D' ' 47' ' ' THR . 54.4 p -133.02 -166.35 1.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.488 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -39.48 3.11 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.406 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.55 -166.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.23 -47.35 30.21 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.78 -81.7 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 122.747 0.419 . . . . 0.0 110.012 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 67.9 m -101.5 127.37 48.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.303 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.84 131.73 52.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.671 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -92.84 -174.24 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.452 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.71 154.76 48.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -162.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.872 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.29 24.32 8.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.556 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.03 135.66 2.38 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 53.24 40.77 31.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.834 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 47.6 t -72.86 139.61 47.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.537 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.89 85.93 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.62 131.38 44.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 76.6 m -121.25 127.46 51.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.021 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.78 -161.91 0.27 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.51 -57.64 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.49 0.186 . . . . 0.0 111.197 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.42 -90.8 0.54 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . 0.4 HG22 ' HB2' ' D' ' 96' ' ' SER . 19.6 p -115.94 110.7 19.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.579 0.228 . . . . 0.0 110.574 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.7 160.74 10.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.449 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 60.4 m -118.29 122.41 42.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.378 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.92 173.61 6.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.95 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 83.7 Cg_exo -43.69 168.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.713 2.275 . . . . 0.0 113.406 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . 0.471 ' H ' ' H ' ' E' ' 74' ' ' GLY . 7.6 mp0 -144.89 110.4 5.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.242 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . 0.437 ' H ' ' H ' ' C' ' 73' ' ' GLN . . . 119.82 -81.89 0.34 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 92.55 3.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 110.4 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.84 -90.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.4 140.54 27.71 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.38 100.96 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.563 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.91 101.08 0.04 OUTLIER Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.41 101.4 0.44 Allowed Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -91.51 -70.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.976 0.417 . . . . 0.0 110.216 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -59.04 1.22 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -152.5 136.31 16.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.48 101.52 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.361 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.12 125.76 32.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 93.0 p -148.18 176.08 10.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 111.309 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t -147.51 125.32 11.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.026 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.9 175.42 13.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.977 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -171.0 177.55 3.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.675 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 95.5 p -162.22 165.43 26.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.507 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -81.15 -72.77 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.584 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.12 72.5 0.04 OUTLIER Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.606 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.33 167.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.712 0.292 . . . . 0.0 110.508 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.48 145.28 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.17 125.17 46.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.32 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . 0.4 ' HB2' HG22 ' D' ' 68' ' ' THR . 10.0 t 57.25 -163.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.499 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 67.4 t80 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.618 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.784 0.326 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.25 147.57 51.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.739 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 82.2 p -134.35 134.89 42.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.241 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -142.05 144.53 33.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.784 0.678 . . . . 0.0 110.954 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . 0.457 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -121.25 -49.39 2.17 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 119.184 -1.006 . . . . 0.0 112.244 177.209 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . 0.457 ' N ' HG22 ' E' ' 47' ' ' THR . 53.3 p -131.08 -165.81 1.61 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.681 0.753 . . . . 0.0 110.76 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.05 -32.22 3.56 Favored Glycine 0 C--N 1.313 -0.739 0 CA-C-O 118.286 -1.285 . . . . 0.0 111.851 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 167.33 -166.58 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 118.902 1.351 . . . . 0.0 108.605 176.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.85 -44.06 25.99 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 119.42 -1.372 . . . . 0.0 111.109 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.25 -83.72 0.0 OUTLIER 'General case' 0 C--N 1.346 0.453 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 68.0 m -100.65 127.41 47.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.144 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -126.02 131.64 52.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.612 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -92.81 -174.36 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.461 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 63.3 m -138.55 154.7 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.761 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -162.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.934 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -124.11 24.29 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.09 135.69 2.38 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.27 40.73 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 0.0 110.807 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 47.7 t -72.84 139.58 47.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.619 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.82 85.75 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.592 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.52 131.43 44.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.62 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 77.0 m -121.05 127.79 52.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.642 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.52 -162.34 0.28 Allowed Glycine 0 CA--C 1.524 0.638 0 O-C-N 124.002 0.814 . . . . 0.0 111.153 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.23 -58.43 8.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.5 0.19 . . . . 0.0 111.096 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.13 -91.3 0.54 Allowed Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . 0.401 HG22 ' HB2' ' E' ' 96' ' ' SER . 19.8 p -115.88 110.58 19.22 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.398 0.705 . . . . 0.0 110.192 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.31 161.02 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.19 -0.604 . . . . 0.0 111.417 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 58.9 m -118.73 123.38 44.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.212 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.86 173.43 6.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 O-C-N 124.75 1.281 . . . . 0.0 109.543 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 85.0 Cg_exo -43.74 168.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.667 2.245 . . . . 0.0 113.253 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . 0.441 ' H ' ' H ' ' F' ' 74' ' ' GLY . 7.2 mp0 -144.6 114.15 7.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.546 178.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . 0.471 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 117.42 -82.98 0.33 Allowed Glycine 0 CA--C 1.539 1.588 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -178.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.69 90.79 3.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 122.754 -0.262 . . . . 0.0 111.049 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.64 -90.86 0.01 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.57 140.19 27.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.024 0.44 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.46 101.02 3.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.45 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.64 103.06 0.07 OUTLIER Glycine 0 CA--C 1.526 0.78 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.85 102.37 0.63 Allowed Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -90.11 -72.71 0.55 Allowed 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 121.59 0.709 . . . . 0.0 110.6 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.61 -59.27 1.28 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 47.4 t -152.38 136.2 16.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.706 0.289 . . . . 0.0 110.796 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -150.23 100.31 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -131.39 125.03 31.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 93.0 p -148.09 175.68 10.82 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.125 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.38 125.39 12.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.072 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.03 175.27 14.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.888 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 83.7 p -170.14 178.39 3.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 97.5 p -162.63 165.31 25.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.477 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -80.88 -72.43 0.42 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.967 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.83 70.3 0.04 OUTLIER Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.821 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.32 167.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.964 0.382 . . . . 0.0 110.59 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.51 145.3 51.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -121.14 125.17 46.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.138 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . 0.401 ' HB2' HG22 ' E' ' 68' ' ' THR . 10.1 t 57.3 -163.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.501 0.501 . . . . 0.0 110.494 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 67.1 t80 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.55 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.716 0.293 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -130.28 147.51 52.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.2 134.69 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.356 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -142.51 144.17 32.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.799 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . 0.428 HG22 ' N ' ' F' ' 48' ' ' SER . 1.0 OUTLIER -120.17 -53.3 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 110.694 179.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . 0.428 ' N ' HG22 ' F' ' 47' ' ' THR . 54.2 p -132.78 -166.41 1.75 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.448 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.59 -39.44 3.11 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.497 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.31 -167.2 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.93 -47.36 32.27 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.72 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 124.015 0.479 . . . . 0.0 109.977 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 67.5 m -101.63 127.35 48.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.28 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.91 131.59 52.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.729 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.77 -174.44 3.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.47 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 63.3 m -138.55 154.73 48.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -162.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.899 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.2 24.27 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.98 135.68 2.38 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.33 40.73 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.338 . . . . 0.0 110.748 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.74 139.75 47.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.609 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.97 86.04 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.79 131.54 44.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 81.4 m -121.1 128.43 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.46 -161.83 0.37 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.35 -58.38 8.76 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.201 -0.199 . . . . 0.0 111.159 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.05 -91.08 0.54 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . 0.404 HG22 ' HB2' ' F' ' 96' ' ' SER . 19.7 p -115.68 111.23 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.98 160.75 10.27 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.378 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 59.5 m -118.36 122.36 42.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.277 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.92 173.64 6.64 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 82.9 Cg_exo -43.65 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.788 2.325 . . . . 0.0 113.325 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . 0.444 ' H ' ' H ' ' G' ' 74' ' ' GLY . 7.6 mp0 -144.91 110.37 5.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.195 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . 0.441 ' H ' ' H ' ' E' ' 73' ' ' GLN . . . 119.91 -81.99 0.34 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.63 92.46 3.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.341 . . . . 0.0 110.384 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.8 -90.87 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.47 140.45 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.055 0.455 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.35 100.81 2.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.212 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.86 101.33 0.04 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.36 101.07 0.41 Allowed Glycine 0 CA--C 1.518 0.243 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -91.35 -70.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.343 . . . . 0.0 110.145 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -59.03 1.22 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.44 136.2 16.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.38 101.46 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.391 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.07 125.73 32.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 93.2 p -148.09 176.1 10.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.011 0.434 . . . . 0.0 111.334 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.43 125.35 12.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.113 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.84 175.47 13.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.958 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.03 177.54 3.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.744 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 95.8 p -162.31 165.48 26.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.455 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -81.29 -72.86 0.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.514 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.29 72.48 0.04 OUTLIER Glycine 0 CA--C 1.525 0.673 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.576 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.31 167.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 110.435 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.54 145.3 51.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.8 m -121.23 125.29 46.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.325 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . 0.404 ' HB2' HG22 ' F' ' 68' ' ' THR . 10.0 t 57.18 -163.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.551 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.612 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.781 0.324 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -130.24 147.6 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.748 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.3 134.82 42.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.276 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.73 144.23 32.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.743 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . 0.428 HG22 ' N ' ' G' ' 48' ' ' SER . 1.0 OUTLIER -120.26 -53.04 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.037 0.446 . . . . 0.0 110.699 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . 0.428 ' N ' HG22 ' G' ' 47' ' ' THR . 54.3 p -133.0 -166.42 1.76 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.438 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.68 -39.56 3.1 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.467 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.37 -167.12 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.93 -47.42 31.98 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.75 -81.63 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 124.014 0.479 . . . . 0.0 109.903 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 67.0 m -101.56 127.43 48.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.316 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.96 131.66 52.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.608 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -92.74 -174.34 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.54 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.54 154.78 48.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.731 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -162.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.888 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.21 24.29 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.518 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.06 135.62 2.37 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.4 40.72 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.693 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.74 139.53 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.9 86.07 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.509 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.74 131.5 44.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 81.0 m -121.02 127.92 52.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.774 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -161.8 0.31 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.62 -58.02 10.25 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.14 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.81 -90.92 0.54 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . 0.407 HG22 ' HB2' ' G' ' 96' ' ' SER . 19.8 p -115.91 111.04 19.84 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.82 160.69 10.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.53 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 60.8 m -118.29 122.36 42.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.384 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.95 173.59 6.71 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.926 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 83.0 Cg_exo -43.61 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.733 2.289 . . . . 0.0 113.389 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . 0.445 ' H ' ' H ' ' H' ' 74' ' ' GLY . 7.5 mp0 -144.99 110.49 5.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.049 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . 0.444 ' H ' ' H ' ' F' ' 73' ' ' GLN . . . 119.87 -81.91 0.34 Allowed Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.8 92.56 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.91 -90.76 0.01 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.44 140.37 27.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.963 0.411 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.23 100.8 2.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.299 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.93 101.35 0.04 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.4 101.22 0.42 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -91.49 -70.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.781 0.325 . . . . 0.0 110.154 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.59 -59.12 1.22 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -152.43 136.38 16.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 0.0 110.751 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.56 101.55 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.311 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -132.08 125.58 31.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.995 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -147.99 176.07 10.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 111.348 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 44.5 t -147.48 125.33 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.046 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.85 175.46 13.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.992 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -171.04 177.53 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.793 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 95.7 p -162.23 165.5 26.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.498 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -81.22 -72.93 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.538 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.28 72.54 0.04 OUTLIER Glycine 0 CA--C 1.528 0.85 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.559 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.19 167.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.674 0.274 . . . . 0.0 110.539 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.53 145.28 51.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -121.16 125.22 46.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . 0.407 ' HB2' HG22 ' G' ' 68' ' ' THR . 10.0 t 57.1 -163.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.521 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 67.2 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.613 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.731 0.301 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 58.8 m -130.25 147.51 51.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.724 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 81.7 p -134.2 134.73 42.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.338 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.65 144.12 32.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.732 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . 0.427 HG22 ' N ' ' H' ' 48' ' ' SER . 1.0 OUTLIER -120.1 -53.25 2.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.055 0.455 . . . . 0.0 110.691 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . 0.427 ' N ' HG22 ' H' ' 47' ' ' THR . 54.4 p -132.91 -166.38 1.75 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.429 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.61 -39.46 3.11 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.444 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.35 -167.17 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.86 -47.46 32.24 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.78 -81.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.964 0.45 . . . . 0.0 109.939 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 67.1 m -101.51 127.34 48.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.358 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.91 131.76 52.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.603 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.88 -174.48 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.433 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.44 154.82 48.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.754 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -162.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.84 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.2 24.25 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.04 135.65 2.37 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.32 40.72 31.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.786 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 47.7 t -72.81 139.65 47.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.526 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.93 85.98 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.485 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.7 131.52 44.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 79.9 m -121.07 127.94 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.748 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.16 -161.86 0.32 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.4 -58.12 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.518 0.199 . . . . 0.0 111.193 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.84 -90.91 0.54 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . 0.41 HG22 ' HB2' ' H' ' 96' ' ' SER . 19.8 p -115.89 111.08 19.92 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.83 160.75 10.57 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.446 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 61.0 m -118.33 122.31 42.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.376 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.87 173.58 6.73 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.945 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 84.6 Cg_exo -43.72 168.76 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.719 2.279 . . . . 0.0 113.338 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . 0.441 ' H ' ' H ' ' I' ' 74' ' ' GLY . 7.6 mp0 -144.95 110.46 5.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.18 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . 0.445 ' H ' ' H ' ' G' ' 73' ' ' GLN . . . 119.89 -82.09 0.34 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.59 92.59 3.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.828 0.347 . . . . 0.0 110.346 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.77 -90.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.4 140.41 27.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.985 0.421 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.31 100.76 2.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.278 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.78 101.28 0.04 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.136 -1.185 . . . . 0.0 110.136 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.33 101.27 0.42 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -91.59 -70.45 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -58.92 1.23 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -152.51 136.29 16.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.754 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.43 101.59 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.313 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -132.11 125.57 31.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.94 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -147.98 176.03 10.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.019 0.438 . . . . 0.0 111.353 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 44.3 t -147.37 125.43 12.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.043 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.88 175.51 13.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.954 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.11 177.52 3.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.765 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 96.1 p -162.27 165.42 26.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.495 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -81.09 -72.95 0.4 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.536 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.29 72.42 0.04 OUTLIER Glycine 0 CA--C 1.526 0.74 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.579 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.17 167.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 110.512 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.44 145.36 51.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.22 125.29 46.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.302 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . 0.41 ' HB2' HG22 ' H' ' 68' ' ' THR . 9.9 t 57.12 -163.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.555 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 67.0 t80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.56 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.739 0.304 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 57.5 m -130.23 147.35 51.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.815 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 81.3 p -134.15 134.58 42.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.385 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -142.84 142.89 31.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.894 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . 0.423 HG22 ' N ' ' I' ' 48' ' ' SER . 1.0 OUTLIER -119.12 -53.3 2.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.844 179.649 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . 0.423 ' N ' HG22 ' I' ' 47' ' ' THR . 54.4 p -132.7 -166.2 1.71 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.533 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.68 -39.43 3.11 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 169.97 -167.69 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.29 -47.61 35.4 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.92 -81.56 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.962 0.448 . . . . 0.0 109.947 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -101.68 127.47 48.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 110.189 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -126.04 131.66 52.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -92.9 -174.53 3.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.474 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 63.5 m -138.26 154.93 49.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.788 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.864 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -124.2 24.39 8.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.05 135.69 2.38 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 53.26 40.74 31.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.725 0.298 . . . . 0.0 110.783 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.75 139.62 47.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.92 86.07 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.526 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.79 131.55 44.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.484 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 77.9 m -120.96 128.09 52.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.719 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.34 -161.8 0.35 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.51 -58.08 10.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.254 -0.179 . . . . 0.0 111.067 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.81 -91.04 0.54 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . 0.413 HG22 ' HB2' ' I' ' 96' ' ' SER . 20.1 p -115.9 110.99 19.78 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.89 160.74 10.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 60.5 m -117.97 122.94 44.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.319 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.13 173.29 7.05 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.807 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -43.95 169.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.7 2.267 . . . . 0.0 113.163 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -145.05 110.87 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.231 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . 0.441 ' H ' ' H ' ' H' ' 73' ' ' GLN . . . 120.01 -81.83 0.34 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.5 92.68 3.99 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.87 -90.51 0.01 OUTLIER Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.5 140.34 27.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.402 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.15 100.95 2.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.281 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.28 101.65 0.05 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.29 101.1 0.4 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -91.84 -70.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.221 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.69 -58.85 1.23 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -152.5 136.34 16.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.844 0.354 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.52 101.48 2.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.379 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -132.03 125.5 31.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.781 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 92.1 p -148.07 175.61 10.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.983 0.421 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.02 125.39 12.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.092 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.01 174.91 14.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.966 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -170.46 177.55 4.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 96.1 p -162.21 165.2 27.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -81.11 -72.56 0.42 Allowed 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.521 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 168.68 72.17 0.03 OUTLIER Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.351 -0.928 . . . . 0.0 111.429 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.23 167.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.746 0.308 . . . . 0.0 110.522 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.41 145.31 51.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.8 m -121.3 125.23 46.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.209 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . 0.413 ' HB2' HG22 ' I' ' 68' ' ' THR . 10.0 t 57.15 -163.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 67.0 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.578 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.745 0.307 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.1 p -71.19 160.92 31.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -141.08 153.88 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.667 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -150.59 163.34 38.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.315 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -123.17 -53.39 1.83 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.594 -179.666 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 47' ' ' THR . 68.6 m -133.8 135.38 43.79 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.003 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.51 76.02 1.03 Allowed Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.319 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 32.35 68.48 0.13 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.907 0.416 . . . . 0.0 112.084 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.76 94.95 0.31 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 66.77 96.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 0.0 110.12 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.88 147.82 15.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.337 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.81 135.19 55.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.787 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -128.79 131.27 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.444 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.96 -42.08 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.286 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.5 t -153.14 96.79 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.228 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -90.23 77.2 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.679 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.67 -165.28 50.43 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.29 -35.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.678 0.275 . . . . 0.0 110.614 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -132.09 148.44 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.75 56.32 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.407 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -101.36 129.01 47.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.8 m -132.51 136.78 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.05 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.1 -160.45 1.64 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.85 -55.77 7.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.36 . . . . 0.0 111.099 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.85 -92.06 0.97 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.1 p -115.69 130.42 56.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.121 0.486 . . . . 0.0 110.507 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -161.63 129.96 4.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.629 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' HG23 ' B' ' 71' ' ' THR . 23.1 p -109.93 141.59 42.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.672 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.43 ' C ' ' OG1' ' B' ' 71' ' ' THR . 61.7 p -92.59 161.92 30.86 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.56 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -88.54 108.16 0.52 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.889 2.393 . . . . 0.0 113.428 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -58.81 159.02 7.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.635 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.41 -97.6 1.49 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.46 ' CE2' HG23 ' A' ' 78' ' ' THR . 0.1 OUTLIER -123.8 42.73 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.213 0.53 . . . . 0.0 110.606 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.17 136.1 51.27 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.81 89.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.842 0.353 . . . . 0.0 110.189 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.46 HG23 ' CE2' ' A' ' 75' ' ' TYR . 63.4 m -101.24 104.56 15.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.11 0.481 . . . . 0.0 110.493 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.42 -144.96 12.32 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.09 71.83 0.52 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -53.61 134.09 41.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.535 0.207 . . . . 0.0 110.953 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.89 -47.35 0.57 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 172.48 131.37 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.949 0.404 . . . . 0.0 110.809 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.3 m -134.75 91.83 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.61 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -54.54 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.591 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 p -163.74 -177.14 4.99 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.134 -0.626 . . . . 0.0 112.021 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -164.45 148.4 9.41 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.773 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.65 130.43 52.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.745 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.09 161.55 8.61 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.936 0.398 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.466 ' HG ' ' HD1' ' A' ' 91' ' ' TYR . 87.9 p -162.81 -174.44 3.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.466 ' HD1' ' HG ' ' A' ' 90' ' ' SER . 65.5 m-85 58.09 72.47 0.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.742 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.64 52.56 0.57 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.48 170.82 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.597 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.52 158.81 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.37 178.59 7.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.451 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.0 t -138.76 140.52 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.592 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.562 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 82.2 p -71.25 160.95 31.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.008 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.16 153.54 45.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.673 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.18 163.23 38.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.466 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.402 HG22 ' N ' ' B' ' 48' ' ' SER . 1.0 OUTLIER -123.41 -53.29 1.81 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.574 -179.719 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.402 ' N ' HG22 ' B' ' 47' ' ' THR . 70.8 m -133.59 135.72 44.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.959 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 104.88 78.4 1.22 Allowed Glycine 0 C--O 1.222 -0.616 0 C-N-CA 120.321 -0.942 . . . . 0.0 111.965 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' B' ' 49' ' ' GLY . 66.3 m-85 29.96 68.9 0.09 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.0 95.02 0.33 Allowed Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.91 96.37 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.884 0.374 . . . . 0.0 110.09 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.81 147.73 15.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.328 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -120.75 135.25 55.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.88 131.28 47.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.408 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.99 -42.07 5.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.94 0.4 . . . . 0.0 110.265 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.1 96.7 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.31 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -90.15 77.21 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.766 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.72 -165.13 50.72 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.42 -35.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 110.523 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 43.5 t -131.87 148.51 52.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.543 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.62 56.34 5.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.48 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.45 128.88 47.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.559 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 50.9 m -132.3 136.93 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.2 -160.31 1.66 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -55.73 7.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.697 0.284 . . . . 0.0 111.022 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.03 -92.41 0.99 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -115.43 130.87 57.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.37 . . . . 0.0 110.496 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.84 129.9 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.568 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . 0.446 ' O ' HG23 ' C' ' 71' ' ' THR . 23.7 p -109.89 141.54 42.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.534 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . 0.446 ' C ' ' OG1' ' C' ' 71' ' ' THR . 53.1 p -93.0 162.81 27.59 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.467 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -89.01 106.75 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 123.22 2.613 . . . . 0.0 113.892 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.43 158.89 5.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.792 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.65 -97.55 1.47 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.464 ' CE2' HG23 ' B' ' 78' ' ' THR . 0.1 OUTLIER -123.21 41.35 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.401 . . . . 0.0 110.658 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.96 136.28 51.0 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.75 89.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 110.218 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.464 HG23 ' CE2' ' B' ' 75' ' ' TYR . 66.1 m -101.06 104.37 15.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.3 -144.03 11.81 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.8 71.85 0.51 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -53.66 134.36 41.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.813 0.339 . . . . 0.0 110.938 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.81 -47.18 0.58 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.47 131.38 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 73.0 m -134.73 91.84 2.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.632 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.41 -87.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 72.6 p -163.4 -176.12 4.58 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.885 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.46 148.22 7.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.49 130.55 52.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.795 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.21 161.59 8.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.873 0.368 . . . . 0.0 111.179 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . 0.456 ' HG ' ' HD1' ' B' ' 91' ' ' TYR . 87.8 p -162.95 -174.64 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.736 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . 0.456 ' HD1' ' HG ' ' B' ' 90' ' ' SER . 66.6 m-85 57.77 72.37 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.055 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.85 52.2 0.58 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.35 171.12 9.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.632 0.254 . . . . 0.0 110.503 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.76 158.74 9.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.46 178.46 7.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.488 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -138.55 140.58 39.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.711 0.291 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.17 160.89 32.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.991 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -141.08 153.59 45.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.658 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.13 163.13 39.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . 0.403 HG22 ' N ' ' C' ' 48' ' ' SER . 1.0 OUTLIER -123.36 -53.29 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.627 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . 0.403 ' N ' HG22 ' C' ' 47' ' ' THR . 71.7 m -133.69 135.76 44.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.935 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 104.84 78.51 1.23 Allowed Glycine 0 C--O 1.222 -0.644 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.922 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' C' ' 49' ' ' GLY . 66.1 m-85 29.79 69.06 0.09 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.01 94.98 0.33 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.84 96.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.921 0.391 . . . . 0.0 110.064 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -160.93 147.68 15.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.315 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -120.78 135.24 55.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.743 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -128.89 131.26 47.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.359 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -103.0 -42.04 5.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.25 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -153.08 96.65 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.288 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.13 77.21 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.767 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.79 -165.02 50.97 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -142.52 -35.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.596 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -131.96 148.56 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.513 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 56.61 56.4 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.459 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -101.46 129.02 47.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.497 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 51.2 m -132.44 136.93 47.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.26 -160.37 1.7 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.99 -55.82 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.637 0.256 . . . . 0.0 110.935 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.01 -92.32 0.98 Allowed Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.45 130.93 57.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.888 0.375 . . . . 0.0 110.468 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.83 4.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.555 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . 0.446 ' O ' HG23 ' D' ' 71' ' ' THR . 23.9 p -109.88 141.62 42.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.577 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.447 ' C ' ' OG1' ' D' ' 71' ' ' THR . 50.2 p -93.16 163.05 26.59 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.376 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -89.14 106.62 0.42 Allowed 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 123.187 2.591 . . . . 0.0 114.003 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.27 158.97 4.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.76 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.63 -97.45 1.45 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . 0.469 ' CE2' HG23 ' C' ' 78' ' ' THR . 0.1 OUTLIER -123.32 41.12 3.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 110.626 -179.795 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.65 136.27 50.9 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.69 89.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.93 0.395 . . . . 0.0 110.191 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.469 HG23 ' CE2' ' C' ' 75' ' ' TYR . 66.9 m -101.23 104.58 15.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.44 -144.12 11.78 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.9 71.83 0.51 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -53.71 134.49 41.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.72 -47.14 0.58 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.49 131.44 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.894 0.378 . . . . 0.0 110.824 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -134.77 91.84 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.576 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -54.43 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.587 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 71.8 p -163.25 -175.9 4.52 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.97 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.63 148.27 7.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.57 130.51 52.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.787 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.17 161.58 8.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . 0.454 ' HG ' ' HD1' ' C' ' 91' ' ' TYR . 87.5 p -162.96 -174.7 4.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.654 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . 0.454 ' HD1' ' HG ' ' C' ' 90' ' ' SER . 67.3 m-85 57.8 72.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.185 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.81 52.21 0.58 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.31 171.22 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.662 0.268 . . . . 0.0 110.531 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.88 158.7 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.41 178.45 7.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.542 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 48.0 t -138.6 140.59 39.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.489 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.601 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.829 0.347 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 82.5 p -71.23 160.97 31.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -141.15 153.56 45.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.701 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -150.14 163.19 38.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . 0.412 HG22 ' N ' ' D' ' 48' ' ' SER . 1.0 OUTLIER -123.41 -53.46 1.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.527 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . 0.412 ' N ' HG22 ' D' ' 47' ' ' THR . 71.0 m -133.45 135.76 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.055 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 104.81 78.59 1.24 Allowed Glycine 0 C--O 1.221 -0.676 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.918 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' E' ' 49' ' ' GLY . 65.7 m-85 29.83 68.99 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.16 95.08 0.34 Allowed Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 66.87 96.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.828 0.347 . . . . 0.0 110.101 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 33.4 t -160.88 147.69 15.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.303 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 39.7 t -120.72 135.27 55.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.778 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.87 131.24 47.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.374 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.99 -42.01 5.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.325 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.07 96.66 2.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.339 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.13 77.1 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.722 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.82 -164.95 51.1 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.53 -35.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.613 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 43.6 t -131.86 148.48 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.633 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.73 56.3 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.383 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.45 128.96 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.511 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 49.6 m -132.64 136.77 46.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.02 -160.37 1.58 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.08 -55.47 8.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.665 0.269 . . . . 0.0 110.981 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.73 -92.26 0.99 Allowed Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -115.43 130.7 56.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.771 0.32 . . . . 0.0 110.58 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.75 129.9 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . 0.445 ' O ' HG23 ' E' ' 71' ' ' THR . 24.0 p -109.95 141.64 42.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.517 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . 0.447 ' C ' ' OG1' ' E' ' 71' ' ' THR . 50.1 p -93.11 163.01 26.82 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . 0.4 ' HB3' ' C ' ' E' ' 72' ' ' PRO . 58.2 Cg_endo -89.1 106.68 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 123.211 2.607 . . . . 0.0 114.04 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.31 158.99 4.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.65 -97.47 1.45 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . 0.468 ' CE2' HG23 ' D' ' 78' ' ' THR . 0.1 OUTLIER -123.28 41.04 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.714 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.62 136.36 50.81 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.77 89.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 0.0 110.109 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . 0.468 HG23 ' CE2' ' D' ' 75' ' ' TYR . 63.9 m -100.9 104.41 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.43 -144.34 11.93 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.98 71.89 0.51 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -53.78 134.52 42.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.67 -47.07 0.58 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.45 131.44 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 72.8 m -134.75 91.88 2.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.623 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -54.51 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.603 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 69.6 p -163.21 -176.06 4.62 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.992 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.59 148.17 7.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.608 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.52 130.5 52.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.772 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.18 161.55 8.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.04 0.447 . . . . 0.0 111.078 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . 0.452 ' HG ' ' HD1' ' D' ' 91' ' ' TYR . 88.0 p -162.94 -174.5 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.655 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . 0.452 ' HD1' ' HG ' ' D' ' 90' ' ' SER . 67.0 m-85 57.47 72.75 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.16 52.31 0.57 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.42 171.2 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.502 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.79 158.76 9.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.84 0.353 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.4 178.43 7.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.5 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.54 140.57 39.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.629 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.79 0.329 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 82.3 p -71.24 160.61 32.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -141.03 153.66 45.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.634 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -149.94 163.09 39.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.625 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . 0.444 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -124.2 -50.55 1.79 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 119.311 -0.956 . . . . 0.0 112.643 178.032 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . 0.444 ' N ' HG22 ' E' ' 47' ' ' THR . 66.8 m -131.06 134.05 46.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 119.257 -0.401 . . . . 0.0 112.025 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 107.93 72.14 0.76 Allowed Glycine 0 C--O 1.216 -1.019 0 C-N-CA 117.921 -2.085 . . . . 0.0 113.209 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' E' ' 49' ' ' GLY . 70.5 m-85 29.0 74.77 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.406 0.622 . . . . 0.0 110.64 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.35 92.79 0.42 Allowed Glycine 0 C--N 1.323 -0.145 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 67.88 96.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.04 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 33.4 t -160.83 147.81 15.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.66 135.47 55.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.606 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -128.92 131.41 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.531 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 3.2 m -103.0 -42.08 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.392 . . . . 0.0 110.223 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 46.5 t -153.14 96.74 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.255 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -90.22 77.11 6.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.762 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.79 -165.1 50.89 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.39 -35.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.598 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 43.3 t -131.9 148.55 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.31 56.88 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.426 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.81 129.2 47.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 49.9 m -132.58 136.77 46.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.43 -161.97 1.64 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -56.36 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.62 0.247 . . . . 0.0 110.967 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.35 -92.25 0.96 Allowed Glycine 0 N--CA 1.464 0.565 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -115.48 130.63 56.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.786 0.327 . . . . 0.0 110.476 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.64 130.44 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.439 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . 0.419 ' O ' HG23 ' F' ' 71' ' ' THR . 22.2 p -110.27 141.85 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.034 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . 0.447 ' OG1' ' C ' ' D' ' 71' ' ' THR . 56.2 p -92.54 163.14 27.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 O-C-N 125.529 1.768 . . . . 0.0 110.874 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . 0.4 ' C ' ' HB3' ' D' ' 72' ' ' PRO . 62.4 Cg_endo -89.73 108.53 0.41 Allowed 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.516 2.144 . . . . 0.0 113.669 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -58.17 158.8 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.712 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.23 -96.02 1.3 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . 0.474 ' CE2' HG23 ' E' ' 78' ' ' THR . 0.1 OUTLIER -123.77 41.31 3.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.807 179.62 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.86 136.41 50.85 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.39 90.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.948 0.404 . . . . 0.0 110.267 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . 0.474 HG23 ' CE2' ' E' ' 75' ' ' TYR . 70.1 m -101.7 104.75 15.58 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.425 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.53 -144.23 11.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.36 72.82 0.37 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -54.56 134.42 46.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.966 0.412 . . . . 0.0 110.779 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.75 -44.54 0.65 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 169.76 131.63 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.077 0.465 . . . . 0.0 110.643 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -134.81 91.61 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.535 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -54.65 -86.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.628 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 70.0 p -163.24 -176.47 4.82 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 121.803 0.811 . . . . 0.0 112.077 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.06 148.66 8.53 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.684 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.55 130.17 51.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.07 161.05 8.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.934 0.397 . . . . 0.0 111.263 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . 0.441 ' HG ' ' HD1' ' E' ' 91' ' ' TYR . 87.1 p -162.6 -174.45 3.99 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.8 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . 0.441 ' HD1' ' HG ' ' E' ' 90' ' ' SER . 68.4 m-85 57.47 72.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.472 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.2 52.86 0.56 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.71 170.95 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.606 0.241 . . . . 0.0 110.433 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.56 158.54 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 85.0 p -163.94 179.11 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.596 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.77 140.72 38.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.594 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.801 0.334 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 82.5 p -71.29 161.02 31.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.946 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 13.7 t -141.27 153.49 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -150.07 163.1 39.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . 0.419 HG22 ' N ' ' F' ' 48' ' ' SER . 1.0 OUTLIER -123.26 -53.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.576 -179.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . 0.419 ' N ' HG22 ' F' ' 47' ' ' THR . 71.5 m -133.54 135.84 44.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.99 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 104.71 78.93 1.27 Allowed Glycine 0 C--O 1.221 -0.675 0 C-N-CA 120.323 -0.941 . . . . 0.0 111.926 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' F' ' 49' ' ' GLY . 64.6 m-85 29.43 69.13 0.08 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.16 94.96 0.33 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.91 96.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 110.055 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.94 147.77 15.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.253 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 39.6 t -120.8 135.11 55.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.795 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . 0.402 ' HH ' ' HD2' ' F' ' 50' ' ' TYR . 93.6 m-85 -128.79 131.22 47.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.425 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.94 -42.05 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.287 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.17 96.83 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.262 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.3 77.2 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.7 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.75 -165.04 50.87 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.45 -35.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.601 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.85 148.54 52.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.66 56.33 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -101.41 129.0 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 51.1 m -132.39 137.12 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.37 -160.26 1.73 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -55.92 7.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 0.0 110.966 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.14 -92.38 0.98 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.4 131.05 57.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.903 0.382 . . . . 0.0 110.366 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.99 129.8 4.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . 0.448 ' O ' HG23 ' G' ' 71' ' ' THR . 24.0 p -109.9 141.56 42.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.515 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . 0.447 ' OG1' ' C ' ' E' ' 71' ' ' THR . 50.0 p -93.18 163.08 26.43 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.403 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -89.2 106.6 0.42 Allowed 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 123.121 2.547 . . . . 0.0 113.999 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.23 159.05 4.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.759 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.48 -97.65 1.49 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' F' ' 78' ' ' THR . 0.1 OUTLIER -122.72 40.83 3.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.704 -179.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.61 136.28 50.88 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.65 89.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.191 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . 0.467 HG23 ' CE2' ' F' ' 75' ' ' TYR . 68.8 m -101.11 104.47 15.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.32 -144.13 11.86 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 71.84 0.51 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.71 134.49 41.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.72 -47.03 0.58 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.33 131.37 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.853 0.359 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.75 91.91 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.602 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.53 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.582 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 70.9 p -163.25 -176.05 4.59 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.01 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -165.55 148.24 7.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.528 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.47 130.47 52.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.2 161.55 8.42 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . 0.441 ' HG ' ' HD1' ' F' ' 91' ' ' TYR . 87.4 p -162.91 -174.63 3.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.702 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . 0.441 ' HD1' ' HG ' ' F' ' 90' ' ' SER . 67.3 m-85 57.91 71.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.334 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.58 52.31 0.58 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.38 171.13 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.64 0.257 . . . . 0.0 110.437 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.79 158.72 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 84.6 p -164.45 178.47 7.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.56 140.6 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.499 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.57 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.798 0.332 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.27 160.95 31.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.009 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.09 153.52 45.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.613 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -150.12 163.17 38.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.578 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . 0.422 HG22 ' N ' ' G' ' 48' ' ' SER . 1.0 OUTLIER -123.36 -53.46 1.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.615 -179.753 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . 0.422 ' N ' HG22 ' G' ' 47' ' ' THR . 71.5 m -133.55 135.87 44.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.918 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 104.73 78.59 1.24 Allowed Glycine 0 C--O 1.221 -0.665 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.958 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' G' ' 49' ' ' GLY . 65.1 m-85 29.78 69.05 0.09 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.1 95.08 0.34 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 66.86 96.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.073 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.89 147.76 15.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.286 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -120.8 135.08 55.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.758 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.71 131.34 47.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.445 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -103.0 -42.05 5.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.303 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -153.15 96.81 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.265 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -90.17 77.17 6.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.69 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.73 -165.06 50.82 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.41 -35.55 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 110.587 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.88 148.5 52.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.589 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.7 56.33 5.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.404 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.4 128.96 47.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.599 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 50.6 m -132.45 136.91 47.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.15 -160.31 1.63 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.09 -55.78 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.974 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.06 -92.4 0.99 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.36 130.82 57.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.867 0.365 . . . . 0.0 110.407 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.86 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.633 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . 0.446 ' O ' HG23 ' H' ' 71' ' ' THR . 23.8 p -109.85 141.64 42.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.552 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . 0.448 HG23 ' O ' ' F' ' 70' ' ' SER . 51.1 p -93.16 163.08 26.44 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -89.12 106.46 0.42 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 123.192 2.594 . . . . 0.0 113.982 -176.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.09 159.02 4.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.56 -97.48 1.46 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' G' ' 78' ' ' THR . 0.1 OUTLIER -123.27 41.0 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.994 0.426 . . . . 0.0 110.698 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.63 136.32 50.85 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.74 89.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.974 0.416 . . . . 0.0 110.26 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . 0.467 HG23 ' CE2' ' G' ' 75' ' ' TYR . 68.1 m -101.03 104.35 15.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.634 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.2 -144.19 11.96 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.92 71.76 0.52 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.62 134.51 41.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.904 0.383 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.7 -47.21 0.58 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.46 131.37 0.02 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 72.5 m -134.71 91.82 2.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.714 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.5 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 72.6 p -163.28 -175.96 4.54 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.92 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.64 148.17 7.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.567 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.48 130.6 52.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.24 161.57 8.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.931 0.396 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . 0.443 ' HG ' ' HD1' ' G' ' 91' ' ' TYR . 87.3 p -162.94 -174.68 4.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.649 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . 0.443 ' HD1' ' HG ' ' G' ' 90' ' ' SER . 66.8 m-85 57.8 72.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.141 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.8 52.21 0.58 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.37 171.21 9.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.657 0.265 . . . . 0.0 110.477 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.83 158.73 9.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 111.054 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 84.5 p -164.44 178.49 7.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.498 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -138.59 140.62 39.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.446 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.61 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.795 0.331 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 82.1 p -71.25 160.94 31.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.057 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.13 153.52 45.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.05 163.18 38.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.564 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . 0.424 HG22 ' N ' ' H' ' 48' ' ' SER . 1.0 OUTLIER -123.34 -53.49 1.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.586 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . 0.424 ' N ' HG22 ' H' ' 47' ' ' THR . 71.2 m -133.44 135.76 44.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.971 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 104.87 78.62 1.24 Allowed Glycine 0 C--O 1.223 -0.571 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.933 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' H' ' 49' ' ' GLY . 65.7 m-85 29.79 68.91 0.09 Allowed 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.01 95.08 0.33 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.336 -1.105 . . . . 0.0 110.336 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 66.87 96.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 0.0 110.143 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 33.6 t -160.86 147.82 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.263 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -120.85 135.2 55.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.765 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.74 131.25 47.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.486 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 3.2 m -102.92 -42.02 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -153.24 96.75 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.282 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.19 77.06 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.729 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.76 -165.1 50.83 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.42 -35.51 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 110.562 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -131.94 148.49 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.537 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.71 56.25 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.474 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.39 128.93 47.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.628 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 50.3 m -132.4 137.03 47.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.25 -160.26 1.67 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.12 -55.76 7.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.655 0.264 . . . . 0.0 111.0 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.02 -92.41 0.99 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -115.37 130.95 57.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.804 0.335 . . . . 0.0 110.415 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.87 4.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.569 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . 0.434 ' O ' HG23 ' I' ' 71' ' ' THR . 24.1 p -110.02 141.51 42.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.486 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . 0.446 HG23 ' O ' ' G' ' 70' ' ' SER . 49.8 p -93.12 163.08 26.53 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -88.98 106.45 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 123.205 2.603 . . . . 0.0 114.073 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.12 159.07 4.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.792 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.6 -97.57 1.47 Allowed Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . 0.469 ' CE2' HG23 ' H' ' 78' ' ' THR . 0.1 OUTLIER -122.96 40.71 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.733 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.43 136.27 50.82 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.82 89.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.912 0.387 . . . . 0.0 110.107 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . 0.469 HG23 ' CE2' ' H' ' 75' ' ' TYR . 68.1 m -101.01 104.45 15.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.604 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.29 -144.16 11.89 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.96 71.96 0.5 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.86 134.5 42.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.964 0.411 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.77 -47.14 0.58 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 172.44 131.46 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.74 91.89 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.587 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -54.56 -87.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.559 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 72.8 p -163.22 -175.9 4.53 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.907 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.71 148.18 7.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.39 130.53 52.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.31 161.56 8.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.9 0.381 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . 0.443 ' HG ' ' HD1' ' H' ' 91' ' ' TYR . 87.4 p -162.9 -174.66 4.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.712 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . 0.443 ' HD1' ' HG ' ' H' ' 90' ' ' SER . 67.2 m-85 57.77 72.21 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.182 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.85 52.08 0.58 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.27 171.24 9.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.681 0.277 . . . . 0.0 110.479 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.8 158.81 9.23 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.019 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.51 178.43 7.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 47.8 t -138.55 140.66 39.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.456 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.569 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.772 0.32 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.17 161.11 31.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -141.41 153.28 44.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.696 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -150.27 162.27 40.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.596 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . 0.427 HG22 ' N ' ' I' ' 48' ' ' SER . 1.0 OUTLIER -122.76 -54.03 1.86 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.536 -179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . 0.427 ' N ' HG22 ' I' ' 47' ' ' THR . 72.2 m -132.84 135.89 45.91 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.033 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 104.99 78.55 1.23 Allowed Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.851 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' I' ' 49' ' ' GLY . 64.8 m-85 29.77 70.31 0.07 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.12 95.15 0.41 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.81 95.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.39 . . . . 0.0 110.137 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.15 148.0 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.357 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.83 135.14 55.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.763 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -128.78 131.27 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.478 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 3.3 m -102.98 -42.02 5.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -153.24 96.83 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.276 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.22 77.15 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.659 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.63 -165.08 50.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.36 -35.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.637 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.84 148.51 52.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 56.59 56.38 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.505 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.46 129.0 47.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.565 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 49.5 m -132.39 137.07 47.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.44 -160.15 1.74 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.26 -55.66 8.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.516 0.198 . . . . 0.0 110.942 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.04 -92.46 0.99 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 30.8 p -115.21 131.14 57.02 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.402 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -162.01 129.94 4.07 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.446 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 26.1 p -110.21 140.97 43.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.449 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . 0.434 HG23 ' O ' ' H' ' 70' ' ' SER . 46.6 p -91.82 164.77 22.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -89.98 107.02 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 123.158 2.572 . . . . 0.0 113.989 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -57.6 158.85 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.827 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.26 -97.35 1.39 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . 0.473 ' CE2' HG23 ' I' ' 78' ' ' THR . 0.1 OUTLIER -122.66 39.29 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.72 0.295 . . . . 0.0 110.745 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.15 136.51 48.36 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.66 89.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 110.167 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . 0.473 HG23 ' CE2' ' I' ' 75' ' ' TYR . 67.3 m -100.84 104.35 15.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.739 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.24 -143.91 11.77 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.89 72.01 0.49 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -53.9 134.95 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.043 0.449 . . . . 0.0 110.739 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.59 -46.91 0.59 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.37 131.46 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.77 91.99 2.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.544 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -54.33 -86.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.645 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 76.1 p -163.46 -175.97 4.48 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.213 -0.595 . . . . 0.0 111.532 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.69 148.44 7.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.58 130.69 52.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.733 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.39 161.46 8.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.923 0.392 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . 0.452 ' HG ' ' HD1' ' I' ' 91' ' ' TYR . 87.4 p -162.9 -174.65 4.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.567 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . 0.452 ' HD1' ' HG ' ' I' ' 90' ' ' SER . 69.2 m-85 57.49 71.85 0.55 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.332 0.587 . . . . 0.0 111.455 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.77 51.71 0.59 Allowed Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.36 171.25 9.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.627 0.251 . . . . 0.0 110.412 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.75 158.84 9.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.05 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 85.0 p -164.45 178.41 7.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.483 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 47.5 t -138.62 140.65 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.425 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.551 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.906 0.384 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.9 m -129.33 146.0 51.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -122.47 126.59 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.638 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -140.65 142.86 34.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.093 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.22 -51.38 1.76 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.544 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.6 t -136.42 140.95 43.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.148 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.87 74.55 1.22 Allowed Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.519 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 37.02 70.42 0.17 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.29 95.12 0.5 Allowed Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 67.48 88.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.42 147.53 15.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.649 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.36 146.07 51.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.415 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.81 40.5 20.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.46 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.28 -37.53 77.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.631 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -132.04 144.76 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.31 54.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.28 149.3 42.12 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -109.57 17.01 21.8 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.054 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -61.13 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.746 0.308 . . . . 0.0 110.577 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.84 126.91 53.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -133.39 105.19 6.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.4 m -114.08 130.73 56.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.636 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.04 -161.22 0.9 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.34 -58.77 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.834 0.35 . . . . 0.0 110.826 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.4 -99.57 1.25 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.64 121.38 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.026 0.441 . . . . 0.0 110.772 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.48 133.99 1.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.791 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.0 t -105.68 124.94 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.546 HG22 ' HD2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -77.62 170.08 17.98 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.065 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.546 ' HD2' HG22 ' A' ' 71' ' ' THR . 53.2 Cg_exo -54.22 105.58 0.14 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.253 1.969 . . . . 0.0 112.533 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -63.59 111.84 2.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.05 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.46 121.05 0.34 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.1 t80 58.64 83.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.143 0.497 . . . . 0.0 111.092 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.99 -89.96 0.08 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -141.53 161.09 38.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 111.196 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.19 104.88 3.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.34 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.61 84.83 0.38 Allowed Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.28 -128.5 2.39 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -89.72 51.6 2.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.77 0.319 . . . . 0.0 110.732 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.99 -132.25 48.96 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m 41.02 51.05 3.25 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.153 0.502 . . . . 0.0 110.445 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 p -111.65 83.39 1.77 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.841 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.11 124.06 26.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.675 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.65 -175.01 4.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.942 0.401 . . . . 0.0 111.027 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -154.19 140.42 18.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.314 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.27 -173.48 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.929 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.3 p -151.33 161.28 42.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.33 113.93 15.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.678 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -129.16 100.43 5.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.049 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.79 53.25 0.56 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.682 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.65 114.47 26.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.612 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.92 133.59 22.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.81 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -125.06 127.3 46.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.481 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.19 -165.73 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.688 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.491 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.916 0.389 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.29 145.96 51.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.513 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -122.59 126.28 47.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.695 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.27 142.5 35.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.253 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.39 -51.4 1.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.423 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -136.17 141.48 44.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.14 76.35 1.32 Allowed Glycine 0 C--O 1.223 -0.544 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.181 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.24 70.99 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.79 95.17 0.54 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 67.6 88.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.45 147.48 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.71 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.35 146.06 51.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 49.73 40.54 20.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.522 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.32 -37.46 77.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.608 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.0 m -132.09 144.85 51.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.48 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -146.41 54.31 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.25 149.21 42.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -109.59 17.18 21.61 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.798 0.332 . . . . 0.0 110.574 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.8 126.95 53.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.38 105.15 6.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -113.95 130.9 56.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.13 -161.1 0.9 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.57 -58.72 3.54 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.756 0.312 . . . . 0.0 110.819 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.55 -99.75 1.26 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.4 121.41 44.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.775 0.321 . . . . 0.0 110.765 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.54 133.15 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.826 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.77 124.98 50.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.711 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . 0.553 HG22 ' HD2' ' B' ' 72' ' ' PRO . 0.1 OUTLIER -77.64 169.9 18.82 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.044 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . 0.553 ' HD2' HG22 ' B' ' 71' ' ' THR . 52.3 Cg_exo -54.23 103.67 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.432 2.088 . . . . 0.0 112.809 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.48 112.24 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.296 0.373 . . . . 0.0 110.455 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.4 121.06 0.33 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.84 83.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.411 . . . . 0.0 110.969 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.97 -89.89 0.08 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 55.2 m -141.28 161.32 38.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 111.19 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.26 104.16 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.524 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.06 85.01 0.38 Allowed Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.46 -128.52 2.38 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -89.86 52.31 2.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.921 0.391 . . . . 0.0 110.644 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.35 -132.22 50.08 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.87 51.24 3.15 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.303 0.573 . . . . 0.0 110.555 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.58 83.42 1.78 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.751 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.19 123.36 25.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.773 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.9 -175.0 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -154.09 140.44 18.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.375 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.23 -173.44 0.92 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.057 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 94.9 p -151.4 161.29 42.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.751 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.96 15.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.694 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -129.5 100.64 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.04 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.62 53.61 0.55 Allowed Glycine 0 CA--C 1.526 0.75 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.681 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.76 114.43 26.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.56 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.94 133.57 22.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 70.2 m -124.99 127.3 46.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.543 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.19 -165.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.711 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 58.8 t80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.447 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.862 0.363 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.21 145.94 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -122.55 126.21 47.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.727 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.23 142.37 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.288 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.26 -51.35 1.76 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.542 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -136.27 141.48 43.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 111.123 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.06 76.53 1.33 Allowed Glycine 0 C--O 1.224 -0.515 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.262 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 34.98 71.09 0.12 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.86 95.15 0.54 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 67.64 88.42 0.11 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.849 0.357 . . . . 0.0 110.045 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.44 147.37 15.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.707 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.26 146.18 51.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.472 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.7 40.42 19.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 89.4 p -59.13 -37.57 77.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.628 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.9 m -132.04 144.88 51.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.453 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -146.34 54.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.655 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.17 149.23 42.19 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.48 17.08 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.59 -61.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.502 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.73 126.97 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.539 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.46 105.16 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 94.6 m -113.96 130.81 56.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.02 -161.17 0.89 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.51 -58.8 3.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.694 0.283 . . . . 0.0 110.73 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.58 -99.7 1.26 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.43 121.42 44.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.778 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -168.58 133.12 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.857 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.7 125.04 50.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.729 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.555 HG22 ' HD2' ' C' ' 72' ' ' PRO . 0.1 OUTLIER -77.69 169.92 18.75 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.056 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . 0.555 ' HD2' HG22 ' C' ' 71' ' ' THR . 52.1 Cg_exo -54.24 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.476 2.118 . . . . 0.0 112.78 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.31 112.16 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.818 0.342 . . . . 0.0 110.497 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.52 121.05 0.34 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.72 83.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.012 0.434 . . . . 0.0 110.897 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.02 -89.8 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 54.3 m -141.3 161.37 38.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.161 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.31 104.18 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.55 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.04 85.0 0.38 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.5 -128.5 2.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -89.86 52.44 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.397 . . . . 0.0 110.647 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.38 -132.35 50.07 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.88 51.3 3.17 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.268 0.556 . . . . 0.0 110.556 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.65 83.52 1.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.747 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.28 123.27 25.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.81 -174.87 4.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 110.991 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -154.17 140.38 18.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.45 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.809 -0.357 . . . . 0.0 111.09 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -151.35 161.28 42.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.702 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.88 15.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.667 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -129.43 100.81 5.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.092 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.47 53.64 0.56 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.628 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.73 114.47 26.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.78 0.324 . . . . 0.0 110.547 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.98 133.59 22.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.806 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 70.7 m -125.08 127.39 46.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.454 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.0 -165.7 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.721 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.53 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.824 0.345 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -129.36 146.05 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.0 m -122.67 126.12 46.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.811 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.18 142.51 35.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.204 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.4 -51.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.34 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -135.97 141.61 44.45 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.278 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.95 76.52 1.33 Allowed Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.327 -0.94 . . . . 0.0 112.237 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.03 71.09 0.12 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.83 95.14 0.54 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 67.57 88.42 0.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.827 0.346 . . . . 0.0 110.128 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 47.2 t -160.45 147.4 15.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.715 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 89.5 p -132.31 146.06 51.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.78 40.47 20.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.559 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.31 -37.38 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.656 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.4 m -132.11 144.71 50.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.524 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.25 54.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.16 149.23 42.21 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.55 17.06 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.54 -61.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.815 0.34 . . . . 0.0 110.539 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.78 126.91 53.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.4 105.18 6.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -113.98 130.78 56.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.12 -161.16 0.91 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -58.77 3.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.668 0.271 . . . . 0.0 110.704 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.46 -99.69 1.26 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.4 121.41 44.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.779 0.324 . . . . 0.0 110.784 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.54 133.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.864 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.72 125.08 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.751 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . 0.555 HG22 ' HD2' ' D' ' 72' ' ' PRO . 0.1 OUTLIER -77.81 169.9 18.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.075 179.821 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . 0.555 ' HD2' HG22 ' D' ' 71' ' ' THR . 52.4 Cg_exo -54.17 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.487 2.125 . . . . 0.0 112.817 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.29 112.28 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.306 0.379 . . . . 0.0 110.474 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.36 121.02 0.33 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.78 83.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.99 0.424 . . . . 0.0 110.974 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.02 -89.83 0.08 OUTLIER Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -141.34 161.42 37.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.899 0.38 . . . . 0.0 111.152 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.34 104.26 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.8 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.18 85.15 0.39 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.58 -128.51 2.36 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.99 52.58 2.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.928 0.394 . . . . 0.0 110.64 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.24 -132.25 50.28 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.84 51.3 3.14 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.292 0.568 . . . . 0.0 110.545 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.62 83.45 1.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.721 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.21 123.32 25.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.774 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.84 -175.03 4.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 111.027 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -153.95 140.4 18.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.377 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.47 0.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.019 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 94.8 p -151.33 161.29 42.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.745 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.82 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.687 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -129.55 100.79 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.049 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.52 53.69 0.56 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.635 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.71 114.43 26.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.74 0.305 . . . . 0.0 110.528 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.97 133.56 22.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.745 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -125.04 127.41 46.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.08 -165.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.448 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.879 0.371 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 75.3 m -129.2 145.96 51.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.561 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -122.56 126.35 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.694 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -139.92 142.62 36.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.18 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . 0.423 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -125.02 -49.58 1.71 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 119.173 -1.011 . . . . 0.0 112.511 177.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . 0.423 ' N ' HG22 ' E' ' 47' ' ' THR . 23.2 t -131.58 139.76 49.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.02 71.71 1.04 Allowed Glycine 0 C--O 1.217 -0.927 0 C-N-CA 118.084 -2.007 . . . . 0.0 112.885 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 33.45 76.01 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.455 0.645 . . . . 0.0 111.03 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.39 92.95 0.6 Allowed Glycine 0 CA--C 1.518 0.222 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 68.38 88.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.946 0.403 . . . . 0.0 110.004 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.48 147.42 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.729 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.26 146.19 51.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.42 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 49.77 40.5 20.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.447 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.32 -37.49 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.603 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -132.02 144.78 51.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.571 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -146.28 54.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.12 149.24 42.3 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.57 17.1 21.71 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.58 -61.18 0.09 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.763 0.316 . . . . 0.0 110.586 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.85 126.61 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.1 104.82 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.744 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -113.83 130.75 56.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.61 -162.15 0.9 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -59.06 3.05 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.664 0.269 . . . . 0.0 110.74 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.64 -99.26 1.2 Allowed Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.66 121.08 43.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.749 0.309 . . . . 0.0 110.684 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -168.21 134.41 1.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.319 0.581 . . . . 0.0 110.686 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -106.15 126.75 52.6 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.125 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . 0.553 HG22 ' HD2' ' E' ' 72' ' ' PRO . 0.1 OUTLIER -79.08 169.73 19.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 O-C-N 124.604 1.19 . . . . 0.0 109.778 -179.577 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . 0.553 ' HD2' HG22 ' E' ' 71' ' ' THR . 50.8 Cg_exo -55.57 107.9 0.28 Allowed 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.222 1.281 . . . . 0.0 111.778 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -64.19 114.09 3.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.912 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.85 119.95 0.26 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 4.0 t80 60.53 81.69 0.18 Allowed 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.328 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.4 -89.47 0.08 OUTLIER Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 56.5 m -141.45 161.28 38.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.079 0.466 . . . . 0.0 111.0 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.71 104.07 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.131 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.25 84.91 0.38 Allowed Glycine 0 CA--C 1.547 2.062 0 C-N-CA 120.379 -0.915 . . . . 0.0 111.726 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.53 -128.32 2.35 Favored Glycine 0 C--N 1.355 1.608 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -89.96 51.93 2.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.93 0.395 . . . . 0.0 111.27 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.3 -131.69 49.9 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 39.98 52.26 2.63 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 123.68 0.282 . . . . 0.0 110.464 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 3.7 p -112.42 83.14 1.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.117 0.885 . . . . 0.0 110.26 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.19 122.77 24.48 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-O 121.455 0.645 . . . . 0.0 110.811 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.1 -176.34 5.18 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.933 -0.48 . . . . 0.0 110.887 -178.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -153.36 140.37 19.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.32 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.37 0.91 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.003 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -150.89 161.77 42.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.61 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -129.2 113.65 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.867 0.73 . . . . 0.0 111.224 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -128.63 99.85 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.367 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.02 53.01 0.55 Allowed Glycine 0 CA--C 1.525 0.718 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.726 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.31 114.15 25.8 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.805 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.83 133.76 22.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.85 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -124.93 127.28 46.81 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.316 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.3 -165.73 0.17 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.049 0.843 . . . . 0.0 110.563 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.459 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.853 0.359 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.34 146.01 51.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -122.56 126.29 47.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.629 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -140.24 142.32 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.297 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.27 -51.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.439 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 26.8 t -136.02 141.6 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 111.189 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.88 76.85 1.34 Allowed Glycine 0 C--O 1.222 -0.599 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.123 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 34.66 71.25 0.11 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.87 95.11 0.54 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 67.61 88.31 0.11 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.848 0.356 . . . . 0.0 110.085 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.33 147.43 15.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.706 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.29 146.13 51.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 49.76 40.49 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.497 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.26 -37.51 77.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.638 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -132.01 144.76 51.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.521 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.3 54.25 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.614 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.05 149.19 42.34 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.48 17.0 21.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.575 0.226 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.737 0.303 . . . . 0.0 110.606 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -116.73 126.84 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.542 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.35 105.15 6.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -113.97 130.94 56.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.19 -161.12 0.93 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -58.83 3.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.735 0.303 . . . . 0.0 110.751 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.54 -99.72 1.26 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.38 121.56 45.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.705 0.288 . . . . 0.0 110.761 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.65 133.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.822 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.73 125.08 50.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.704 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . 0.556 HG22 ' HD2' ' F' ' 72' ' ' PRO . 0.1 OUTLIER -77.78 169.93 18.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.036 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . 0.556 ' HD2' HG22 ' F' ' 71' ' ' THR . 51.9 Cg_exo -54.17 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.51 2.14 . . . . 0.0 112.814 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.2 112.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.246 0.341 . . . . 0.0 110.526 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.46 121.3 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.85 83.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.89 0.08 OUTLIER Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 55.4 m -141.27 161.34 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 111.119 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.3 104.19 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.48 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.07 85.07 0.39 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.5 -128.58 2.38 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.87 52.44 2.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.923 0.392 . . . . 0.0 110.611 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 -132.27 50.13 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.86 51.32 3.15 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 121.239 0.542 . . . . 0.0 110.57 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 3.8 p -111.75 83.54 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.606 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.25 123.26 25.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.759 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.82 -174.94 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 111.094 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.8 t -154.03 140.31 18.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.345 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.17 -173.44 0.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 94.7 p -151.33 161.33 42.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.763 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.82 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.673 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.45 100.78 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.041 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.48 53.75 0.56 Allowed Glycine 0 CA--C 1.526 0.762 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.614 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.7 114.39 26.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.729 0.299 . . . . 0.0 110.564 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.98 133.53 22.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.795 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 70.4 m -124.98 127.42 47.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.04 -165.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.658 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.473 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.89 0.376 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.28 145.98 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.525 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -122.53 126.21 47.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.686 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -140.26 142.46 35.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.22 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.41 -51.29 1.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.471 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 26.5 t -136.22 141.52 43.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.99 76.51 1.33 Allowed Glycine 0 C--O 1.222 -0.612 0 C-N-CA 120.329 -0.939 . . . . 0.0 112.172 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 35.16 71.07 0.12 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.89 95.16 0.54 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 67.58 88.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 47.1 t -160.41 147.42 15.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.702 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.29 146.15 51.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.78 40.45 20.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.25 -37.49 77.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -132.02 144.78 51.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.564 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.32 54.22 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.519 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.15 149.2 42.2 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -109.49 17.03 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.18 0.09 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.791 0.329 . . . . 0.0 110.573 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.72 126.91 53.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.569 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.39 105.17 6.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -113.97 130.92 56.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.23 -161.05 0.92 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.55 -58.8 3.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.62 0.248 . . . . 0.0 110.784 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.54 -99.69 1.26 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.45 121.43 44.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.726 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.59 133.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.828 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -104.79 125.09 50.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . 0.559 HG22 ' HD2' ' G' ' 72' ' ' PRO . 0.1 OUTLIER -77.71 169.9 18.84 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.047 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . 0.559 ' HD2' HG22 ' G' ' 71' ' ' THR . 52.0 Cg_exo -54.15 103.39 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.547 2.165 . . . . 0.0 112.776 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.24 112.24 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.831 0.348 . . . . 0.0 110.547 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.56 121.0 0.35 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.73 83.72 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.391 . . . . 0.0 110.953 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.85 0.08 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 55.7 m -141.32 161.41 37.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.922 0.392 . . . . 0.0 111.093 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.32 104.09 3.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.508 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.08 85.17 0.39 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.54 -128.48 2.36 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.94 52.47 2.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 110.643 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 -132.27 50.13 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.81 51.37 3.12 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.282 0.563 . . . . 0.0 110.538 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 4.0 p -111.67 83.51 1.79 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.722 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.25 123.22 25.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.723 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.81 -174.94 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.07 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.2 t -154.06 140.32 18.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.324 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.1 -173.37 0.93 Allowed 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.043 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 95.4 p -151.37 161.32 42.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.7 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.25 113.93 15.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.67 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -129.49 100.79 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.45 53.67 0.56 Allowed Glycine 0 CA--C 1.526 0.777 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.677 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.71 114.43 26.41 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.597 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.97 133.56 22.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.747 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 70.5 m -125.02 127.41 46.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.461 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 5.5 t 58.13 -165.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 58.9 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.459 179.876 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.808 0.337 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -129.26 145.98 51.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -122.58 126.17 47.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.721 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -140.19 142.41 35.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.294 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.29 -51.4 1.76 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.483 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -136.24 141.45 43.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.231 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.2 76.46 1.32 Allowed Glycine 0 C--O 1.224 -0.513 0 C-N-CA 120.276 -0.964 . . . . 0.0 112.232 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.04 71.05 0.12 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.77 95.17 0.54 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 67.54 88.37 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.851 0.358 . . . . 0.0 110.096 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.37 147.37 15.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.693 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 89.7 p -132.29 146.15 51.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.444 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 49.75 40.54 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.489 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.41 -37.38 77.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.591 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -132.07 144.76 50.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.521 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.32 54.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.18 149.25 42.2 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.56 17.06 21.75 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.53 -61.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 0.0 110.575 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.88 126.85 53.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.37 105.25 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -114.07 130.9 56.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.15 -160.99 0.89 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.63 -58.77 3.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.659 0.266 . . . . 0.0 110.779 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.55 -99.72 1.26 Allowed Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.532 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.44 121.43 44.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.686 0.279 . . . . 0.0 110.818 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -168.56 133.26 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.76 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -104.84 125.14 50.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.693 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . 0.559 HG22 ' HD2' ' H' ' 72' ' ' PRO . 0.1 OUTLIER -77.74 169.84 19.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.066 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . 0.559 ' HD2' HG22 ' H' ' 71' ' ' THR . 52.3 Cg_exo -54.21 103.41 0.09 OUTLIER 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.518 2.145 . . . . 0.0 112.754 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.32 112.25 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.909 0.385 . . . . 0.0 110.497 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.59 121.16 0.35 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.75 83.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.83 0.08 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 56.8 m -141.29 161.39 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 111.087 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.29 104.03 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.47 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.94 85.16 0.39 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.52 -128.55 2.37 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -90.04 52.66 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.57 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.19 -132.31 50.39 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.91 51.34 3.18 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.27 0.557 . . . . 0.0 110.545 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.71 83.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.709 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.24 123.26 25.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.72 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.85 -175.04 4.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 111.067 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -153.91 140.41 18.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.407 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.52 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.065 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -151.27 161.27 43.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.796 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.11 113.88 15.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.684 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.54 100.7 5.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.099 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.57 53.71 0.55 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.672 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.66 114.26 26.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.698 0.285 . . . . 0.0 110.617 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.9 133.66 22.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.768 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 70.6 m -125.13 127.39 46.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.432 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.11 -165.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.688 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 59.5 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.522 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.849 0.357 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -129.17 145.94 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.601 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.6 m -122.79 126.01 46.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.061 0.458 . . . . 0.0 110.683 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -140.28 141.46 35.8 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.7 -51.98 1.81 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.424 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 27.3 t -135.51 141.86 45.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.232 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.99 76.47 1.33 Allowed Glycine 0 C--O 1.224 -0.505 0 C-N-CA 120.276 -0.964 . . . . 0.0 112.208 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 34.86 72.54 0.09 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.98 94.93 0.63 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 67.6 87.8 0.12 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.871 0.367 . . . . 0.0 110.162 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -159.78 147.54 16.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.731 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.39 146.18 51.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.447 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 49.68 40.66 20.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.39 -37.54 78.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.613 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 58.5 m -131.98 144.83 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.485 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -146.44 54.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.27 149.31 42.15 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -109.62 17.08 21.69 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.52 -61.21 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.832 0.349 . . . . 0.0 110.576 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.67 126.93 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.53 105.19 6.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.598 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -113.84 131.0 56.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.513 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.27 -160.95 0.92 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.74 -58.77 3.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.493 0.187 . . . . 0.0 110.675 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.6 -99.83 1.27 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.555 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.37 121.46 44.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.599 0.238 . . . . 0.0 110.646 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -168.62 133.02 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.659 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 29.6 t -104.45 125.8 50.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.603 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . 0.563 HG22 ' HD2' ' I' ' 72' ' ' PRO . 0.1 OUTLIER -78.41 169.92 18.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.827 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . 0.563 ' HD2' HG22 ' I' ' 71' ' ' THR . 52.0 Cg_exo -54.32 103.39 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.631 2.221 . . . . 0.0 112.52 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.18 112.6 2.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.789 0.328 . . . . 0.0 110.575 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.43 121.15 0.34 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 59.0 83.73 0.12 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.618 0.247 . . . . 0.0 110.699 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.88 -89.62 0.08 OUTLIER Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 54.7 m -141.19 161.45 37.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.78 0.324 . . . . 0.0 111.071 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.27 103.39 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.648 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.42 85.44 0.4 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.78 -128.58 2.35 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -90.11 53.66 2.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.976 0.417 . . . . 0.0 110.468 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.05 -133.02 52.74 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 41.82 51.18 4.11 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.234 0.54 . . . . 0.0 110.517 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.8 83.53 1.8 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.654 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.11 123.07 25.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.688 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.79 -175.52 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 0.0 111.024 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -153.5 140.49 19.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.378 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.25 -173.62 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 95.7 p -151.12 161.32 42.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.07 113.8 15.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -129.79 100.94 5.67 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.091 0.472 . . . . 0.0 111.066 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.35 54.1 0.55 Allowed Glycine 0 CA--C 1.527 0.834 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.66 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.61 114.32 26.23 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.634 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -145.02 133.59 22.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.784 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 70.1 m -125.1 127.34 46.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.471 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.06 -165.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.685 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.531 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.719 0.295 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.95 159.11 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -127.21 130.27 49.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.681 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -127.4 149.54 50.03 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.323 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.22 -52.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -134.95 132.16 38.09 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.592 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.38 74.89 0.79 Allowed Glycine 0 CA--C 1.527 0.807 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.061 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.517 ' HD2' ' HH ' ' A' ' 55' ' ' TYR . 70.7 m-85 29.13 69.99 0.07 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.164 0.567 . . . . 0.0 112.368 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.82 93.96 0.23 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 67.07 94.72 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.7 t -160.72 149.46 16.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.82 138.36 53.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.517 ' HH ' ' HD2' ' A' ' 50' ' ' TYR . 89.6 m-85 -129.46 143.73 50.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -149.66 137.92 20.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.487 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -156.18 160.83 40.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.648 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -132.42 148.65 52.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.46 -151.97 48.9 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.04 139.7 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.564 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.8 116.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.66 118.78 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.467 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.73 100.34 11.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.658 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.6 m -115.14 128.65 56.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.416 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.13 -166.64 1.07 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -54.83 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 111.116 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.42 -105.89 1.34 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.421 HG21 ' HB2' ' A' ' 96' ' ' SER . 44.6 p -108.36 107.76 18.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.148 0.499 . . . . 0.0 110.136 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -148.1 135.58 20.63 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.695 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.2 m -110.68 136.25 50.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.117 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.407 ' C ' ' OG1' ' B' ' 71' ' ' THR . 33.4 p -73.8 166.0 48.2 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.465 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.402 ' N ' ' OG1' ' B' ' 71' ' ' THR . 44.8 Cg_endo -88.6 105.49 0.46 Allowed 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.523 2.149 . . . . 0.0 113.671 -176.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.29 120.04 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.243 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.98 -87.81 0.27 Allowed Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -129.22 86.94 2.49 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.493 0.663 . . . . 0.0 110.621 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.34 104.63 2.99 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.245 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.76 122.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 111.124 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 85.6 m -110.38 110.28 21.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.86 90.51 0.61 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.74 123.38 0.69 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -93.79 -40.98 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.4 -67.82 1.14 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -148.39 112.82 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.22 84.72 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.345 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.9 118.6 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.354 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.0 p -145.46 167.1 23.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 111.17 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.4 t -139.13 129.7 25.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.011 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.15 173.08 16.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.901 0.381 . . . . 0.0 111.177 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.1 p -166.68 157.85 12.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -164.05 175.35 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.73 75.15 0.05 Allowed 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.38 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.19 49.95 0.13 Allowed Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -97.65 114.28 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.625 0.25 . . . . 0.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.97 128.57 38.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.27 119.32 28.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.285 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.421 ' HB2' HG21 ' A' ' 68' ' ' THR . 6.1 t 66.14 -165.63 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.425 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.815 0.341 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -70.97 159.21 35.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.4 m -127.33 130.18 49.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.686 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -127.11 149.2 50.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.49 -52.3 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.04 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.78 132.44 38.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.492 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 109.98 77.23 0.93 Allowed Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.714 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.522 ' HD2' ' HH ' ' B' ' 55' ' ' TYR . 69.5 m-85 26.24 70.77 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.06 94.01 0.24 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.19 94.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.83 0.348 . . . . 0.0 110.129 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 32.7 t -160.71 149.46 16.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.82 138.41 53.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.522 ' HH ' ' HD2' ' B' ' 50' ' ' TYR . 89.7 m-85 -129.54 143.76 50.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.71 137.88 20.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.458 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 97.5 p -156.14 160.73 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.609 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -132.35 148.59 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.51 -152.04 48.91 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -68.06 139.7 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.615 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 12.5 p -179.73 116.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.587 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.61 118.78 21.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.494 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.81 100.45 11.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -115.03 128.74 56.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.42 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.33 -166.51 1.12 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.41 -54.83 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.646 0.26 . . . . 0.0 110.999 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.83 -106.39 1.36 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.421 HG21 ' HB2' ' B' ' 96' ' ' SER . 44.9 p -108.05 107.65 18.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.768 0.318 . . . . 0.0 110.201 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -148.05 134.86 20.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.714 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 66.0 m -109.84 136.05 49.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.132 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . 0.426 ' C ' ' OG1' ' C' ' 71' ' ' THR . 36.0 p -74.06 166.64 42.77 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.288 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . 0.409 ' N ' ' OG1' ' C' ' 71' ' ' THR . 44.3 Cg_endo -89.03 103.4 0.39 Allowed 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.803 2.335 . . . . 0.0 114.329 -175.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.25 120.17 6.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.492 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.06 -87.69 0.27 Allowed Glycine 0 CA--C 1.527 0.844 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.0 86.75 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.186 0.517 . . . . 0.0 110.59 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.98 105.03 3.01 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.63 122.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 86.5 m -110.17 110.15 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.351 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.68 90.75 0.63 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.84 123.5 0.7 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -93.95 -41.44 9.59 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.28 -67.48 1.21 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 45.5 t -148.42 112.86 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.22 84.86 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.331 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -126.01 118.19 24.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.362 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 96.8 p -145.01 167.16 23.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.018 0.437 . . . . 0.0 111.198 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -139.01 129.66 26.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.033 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.07 173.16 16.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.869 0.366 . . . . 0.0 111.325 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.71 157.84 12.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.613 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.1 t -164.0 175.37 10.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.675 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.94 77.0 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.11 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.36 50.09 0.11 Allowed Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.387 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.74 114.15 26.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 0.0 110.663 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.95 128.65 38.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.821 0.343 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.34 28.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.243 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . 0.421 ' HB2' HG21 ' B' ' 68' ' ' THR . 6.1 t 66.18 -165.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.467 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.78 0.324 . . . . 0.0 110.683 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.99 159.13 35.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -127.17 130.08 49.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.68 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -127.05 149.2 50.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.526 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.48 -52.32 1.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.02 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.78 132.49 38.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.472 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 109.95 77.36 0.94 Allowed Glycine 0 C--O 1.222 -0.613 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.679 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . 0.521 ' HD2' ' HH ' ' C' ' 55' ' ' TYR . 68.5 m-85 26.18 70.83 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.17 93.96 0.24 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.19 94.54 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.841 0.353 . . . . 0.0 110.144 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.72 149.44 16.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -125.85 138.44 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . 0.521 ' HH ' ' HD2' ' C' ' 50' ' ' TYR . 89.6 m-85 -129.56 143.78 50.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.75 137.87 20.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.395 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 97.7 p -156.14 160.82 40.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.42 148.63 52.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.529 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.46 -152.1 49.07 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.88 139.62 56.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 0.0 110.657 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 12.3 p -179.79 116.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.523 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.57 118.77 21.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -100.83 100.47 11.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -115.0 128.88 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.368 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.44 -166.48 1.15 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -54.79 19.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.612 0.244 . . . . 0.0 111.037 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.74 -106.31 1.36 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.421 HG21 ' HB2' ' C' ' 96' ' ' SER . 45.0 p -108.07 107.61 18.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 110.204 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -148.0 135.03 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.572 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.91 135.94 49.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.426 ' OG1' ' C ' ' B' ' 71' ' ' THR . 36.7 p -74.05 166.68 42.42 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.26 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . 0.407 ' N ' ' OG1' ' D' ' 71' ' ' THR . 43.8 Cg_endo -89.08 103.2 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 122.705 2.27 . . . . 0.0 114.494 -175.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.05 120.2 6.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.537 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.08 -87.68 0.27 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.97 86.8 2.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.171 0.51 . . . . 0.0 110.583 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.06 105.15 3.02 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.55 122.24 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.842 0.353 . . . . 0.0 111.077 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m -110.29 110.26 21.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.333 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.59 90.75 0.63 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.82 123.46 0.69 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -93.91 -41.38 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.27 -67.5 1.2 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 45.3 t -148.45 112.96 5.32 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 84.73 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.366 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.91 118.16 24.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.376 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 96.6 p -144.96 167.24 23.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.12 129.74 25.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.993 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.12 173.11 16.91 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.307 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 97.8 p -166.76 157.7 12.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.646 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -163.94 175.18 10.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.621 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.85 77.34 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.161 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.52 50.17 0.11 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.75 114.17 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.676 0.274 . . . . 0.0 110.665 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.97 128.64 38.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.33 119.35 29.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.253 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . 0.421 ' HB2' HG21 ' C' ' 68' ' ' THR . 6.1 t 66.13 -165.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.625 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 22.1 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.452 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.808 0.337 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.05 159.14 35.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -127.3 130.12 48.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.71 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.07 149.16 50.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.494 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.51 -52.41 1.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.937 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.56 132.71 39.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 109.79 77.45 0.95 Allowed Glycine 0 C--O 1.223 -0.567 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.689 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' D' ' 49' ' ' GLY . 69.4 m-85 26.11 70.85 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 178.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.17 93.96 0.24 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.27 94.46 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.842 0.353 . . . . 0.0 110.12 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.63 149.5 16.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.91 138.43 53.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.466 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -129.6 143.7 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.724 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 47.1 t -149.64 137.87 20.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.448 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.12 160.74 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.603 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -132.38 148.65 52.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.51 -151.98 48.84 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -68.11 139.65 56.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.639 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.73 116.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.44 118.83 20.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.486 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.9 100.38 11.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -115.12 128.75 56.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.448 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.26 -166.52 1.1 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.39 -54.68 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.583 0.23 . . . . 0.0 111.069 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.64 -106.24 1.36 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . 0.422 HG21 ' HB2' ' D' ' 96' ' ' SER . 45.0 p -108.12 107.56 18.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.746 0.307 . . . . 0.0 110.317 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -147.97 135.01 20.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.709 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 66.4 m -109.89 136.06 49.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . 0.427 ' C ' ' OG1' ' E' ' 71' ' ' THR . 36.5 p -74.13 166.79 41.52 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.201 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . 0.421 ' HB3' ' C ' ' E' ' 72' ' ' PRO . 43.2 Cg_endo -89.25 103.19 0.37 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.762 2.308 . . . . 0.0 114.529 -175.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.91 120.03 6.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.628 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.02 -87.62 0.27 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.86 86.77 2.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.133 0.492 . . . . 0.0 110.571 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.03 105.19 3.03 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.68 122.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.381 . . . . 0.0 111.066 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 87.1 m -110.07 110.21 21.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.508 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.75 90.81 0.63 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.74 123.55 0.7 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -94.0 -41.3 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.32 -67.39 1.24 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.5 112.98 5.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.901 0.381 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 84.74 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.92 118.12 24.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.354 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 97.3 p -144.93 167.21 23.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.921 0.391 . . . . 0.0 111.222 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.15 129.63 25.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.969 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.06 173.06 17.02 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.32 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.67 157.79 12.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -163.96 175.16 10.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.629 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.83 77.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.64 50.16 0.11 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.74 114.17 26.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.652 0.263 . . . . 0.0 110.651 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.98 128.58 38.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.919 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.39 29.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.21 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . 0.422 ' HB2' HG21 ' D' ' 68' ' ' THR . 6.1 t 66.14 -165.76 0.22 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.598 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.366 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.755 0.312 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -70.93 159.16 35.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 94.5 m -127.37 130.28 49.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.628 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -126.96 149.25 49.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.536 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . 0.423 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -123.23 -50.25 1.91 Allowed 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 119.458 -0.897 . . . . 0.0 111.994 177.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . 0.423 ' N ' HG22 ' E' ' 47' ' ' THR . 43.3 t -131.31 131.17 43.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.8 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.76 71.98 0.63 Allowed Glycine 0 C--O 1.218 -0.885 0 C-N-CA 118.385 -1.864 . . . . 0.0 112.818 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' E' ' 49' ' ' GLY . 69.9 m-85 25.83 75.69 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.241 0.617 . . . . 0.0 111.128 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.09 92.04 0.29 Allowed Glycine 0 CA--C 1.517 0.167 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.98 94.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.39 . . . . 0.0 110.081 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.7 149.54 16.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.507 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.81 138.5 53.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.532 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -129.6 143.77 50.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.766 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -149.67 137.86 20.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.45 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -156.15 160.8 40.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.565 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -132.41 148.64 52.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.601 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.44 -152.04 49.02 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.85 139.61 56.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.745 0.307 . . . . 0.0 110.672 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 12.5 p -179.77 116.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.579 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.57 118.61 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -100.62 100.21 10.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -115.0 128.75 56.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.291 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.92 -166.69 1.01 Allowed Glycine 0 CA--C 1.525 0.667 0 O-C-N 123.909 0.755 . . . . 0.0 111.512 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.26 -54.83 18.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.667 0.27 . . . . 0.0 111.089 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.22 -106.15 1.38 Allowed Glycine 0 N--CA 1.465 0.579 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . 0.417 HG21 ' HB2' ' E' ' 96' ' ' SER . 45.6 p -108.09 107.3 17.9 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.79 135.67 21.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.419 0.628 . . . . 0.0 110.54 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -110.67 136.53 49.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . 0.434 ' C ' ' OG1' ' F' ' 71' ' ' THR . 37.8 p -74.29 166.83 41.39 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.335 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . 0.421 ' C ' ' HB3' ' D' ' 72' ' ' PRO . 53.0 Cg_endo -90.49 107.89 0.34 Allowed 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.271 1.314 . . . . 0.0 113.285 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -57.7 120.43 8.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.432 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.79 -87.26 0.27 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -128.88 85.13 2.29 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.015 0.436 . . . . 0.0 110.964 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.42 103.56 2.73 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.3 122.01 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.991 0.424 . . . . 0.0 111.076 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 85.5 m -109.75 110.24 21.19 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.088 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.08 90.81 0.64 Allowed Glycine 0 CA--C 1.541 1.693 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.55 121.59 0.58 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -90.28 -45.85 8.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.498 -0.351 . . . . 0.0 111.762 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -43.33 -67.52 0.97 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 45.3 t -148.42 112.96 5.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.06 84.26 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.197 0.936 . . . . 0.0 110.706 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.63 117.33 23.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.399 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 96.8 p -144.57 167.0 23.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.16 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 43.2 t -139.0 129.65 26.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.02 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.11 173.09 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.304 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 97.2 p -166.48 157.36 12.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.7 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 48.1 t -162.88 175.69 10.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.759 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.78 76.89 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.207 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.48 49.97 0.11 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -96.29 113.94 25.58 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.959 -0.141 . . . . 0.0 110.986 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.96 128.75 39.1 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.03 119.31 29.16 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.754 0.659 . . . . 0.0 109.991 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . 0.417 ' HB2' HG21 ' E' ' 68' ' ' THR . 6.0 t 66.27 -165.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.738 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.44 -179.923 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.818 0.342 . . . . 0.0 110.672 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.99 159.17 35.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -127.36 130.16 48.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.646 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.06 149.1 50.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.55 -52.23 1.93 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.031 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.67 132.51 39.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.438 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 109.85 77.64 0.96 Allowed Glycine 0 C--O 1.222 -0.628 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.695 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . 0.514 ' HD2' ' HH ' ' F' ' 55' ' ' TYR . 69.2 m-85 25.76 70.94 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.2 93.91 0.24 Allowed Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.26 94.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 110.159 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.71 149.46 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.86 138.35 53.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.566 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . 0.514 ' HH ' ' HD2' ' F' ' 50' ' ' TYR . 89.5 m-85 -129.43 143.71 50.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.69 137.92 20.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.418 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.2 160.75 40.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.555 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -132.34 148.59 52.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.53 -152.03 48.86 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.88 139.62 56.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.773 0.321 . . . . 0.0 110.637 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.82 116.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.606 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.5 118.83 21.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.91 100.43 11.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -114.99 128.99 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.54 -166.37 1.16 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -54.97 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.668 0.27 . . . . 0.0 110.999 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.93 -106.43 1.36 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . 0.417 HG21 ' HB2' ' F' ' 96' ' ' SER . 45.2 p -107.98 107.66 18.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -148.06 135.09 20.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 66.7 m -110.06 136.03 49.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . 0.434 ' OG1' ' C ' ' E' ' 71' ' ' THR . 36.9 p -74.1 166.77 41.73 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.246 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . 0.407 ' C ' ' HB3' ' E' ' 72' ' ' PRO . 44.1 Cg_endo -89.22 103.18 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.706 2.271 . . . . 0.0 114.459 -175.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.93 120.1 6.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.518 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.06 -87.86 0.27 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.53 86.6 2.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.12 0.486 . . . . 0.0 110.613 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.96 105.11 3.01 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.48 122.22 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.929 0.395 . . . . 0.0 111.056 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 86.8 m -110.17 110.23 21.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.369 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.63 90.82 0.63 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.79 123.45 0.69 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -93.93 -41.34 9.65 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.21 -67.52 1.19 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.4 112.95 5.33 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.3 84.75 2.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.295 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -125.94 118.13 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.353 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 96.6 p -145.02 167.2 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 111.182 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 43.4 t -139.04 129.61 25.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.123 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.05 173.09 16.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.362 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 97.1 p -166.7 157.76 12.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.636 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.91 175.3 10.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.641 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.92 77.45 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.62 50.19 0.11 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -97.75 114.17 26.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.749 0.309 . . . . 0.0 110.651 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.95 128.56 38.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.25 119.3 28.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.268 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . 0.417 ' HB2' HG21 ' F' ' 68' ' ' THR . 6.1 t 66.11 -165.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.442 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.804 0.335 . . . . 0.0 110.672 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.01 159.17 35.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -127.2 130.14 49.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.703 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.15 149.15 50.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.506 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.41 -52.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.056 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 48.5 t -134.75 132.49 38.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.471 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 109.9 77.4 0.94 Allowed Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.624 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . 0.512 ' HD2' ' HH ' ' G' ' 55' ' ' TYR . 68.5 m-85 26.16 70.88 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.21 93.97 0.25 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.19 94.47 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.803 0.335 . . . . 0.0 110.144 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.63 149.5 16.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.536 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.9 138.36 53.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . 0.512 ' HH ' ' HD2' ' G' ' 50' ' ' TYR . 89.4 m-85 -129.52 143.73 50.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.786 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 47.1 t -149.69 137.84 20.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.402 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 95.8 p -156.09 160.81 40.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.39 148.66 52.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.43 -151.98 48.96 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.97 139.61 56.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 110.56 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.75 116.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.527 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.53 118.79 21.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.82 100.44 11.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -115.0 128.88 56.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.371 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.42 -166.47 1.14 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -54.79 19.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.589 0.233 . . . . 0.0 111.021 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.74 -106.41 1.37 Allowed Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . 0.415 HG21 ' HB2' ' G' ' 96' ' ' SER . 45.3 p -108.03 107.59 18.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.718 0.294 . . . . 0.0 110.223 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.99 134.93 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.6 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.86 136.05 49.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.186 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . 0.428 ' OG1' ' C ' ' F' ' 71' ' ' THR . 35.6 p -74.01 166.76 41.72 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.292 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . 0.404 ' C ' ' HB3' ' F' ' 72' ' ' PRO . 43.7 Cg_endo -89.22 103.18 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.771 2.314 . . . . 0.0 114.43 -175.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.91 120.13 6.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.575 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.04 -87.53 0.27 Allowed Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.1 86.79 2.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.208 0.528 . . . . 0.0 110.551 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.99 105.06 3.01 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.65 122.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.901 0.381 . . . . 0.0 111.11 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 87.2 m -110.21 110.22 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.355 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.58 90.72 0.63 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.84 123.48 0.69 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -93.91 -41.5 9.58 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.18 -67.48 1.2 Allowed Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 45.1 t -148.47 112.93 5.31 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.3 84.82 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.332 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -125.96 118.09 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.383 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 97.0 p -144.95 167.19 23.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.99 0.424 . . . . 0.0 111.162 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -139.01 129.65 25.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.064 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.11 173.17 16.84 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.3 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.7 157.76 12.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.92 175.25 10.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.722 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.89 77.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.754 0.312 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.65 50.18 0.11 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.86 114.16 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.91 128.61 38.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.43 29.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . 0.415 ' HB2' HG21 ' G' ' 68' ' ' THR . 6.1 t 66.1 -165.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.401 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.832 0.349 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 83.3 p -70.9 159.2 35.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -127.37 130.14 48.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.662 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -127.08 149.06 50.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.561 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.48 -52.28 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.05 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -134.72 132.47 38.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.503 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 109.97 77.32 0.93 Allowed Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.776 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . 0.522 ' HD2' ' HH ' ' H' ' 55' ' ' TYR . 69.2 m-85 26.22 70.82 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.25 94.05 0.25 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.21 94.43 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.173 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.64 149.41 16.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.618 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.83 138.38 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . 0.522 ' HH ' ' HD2' ' H' ' 50' ' ' TYR . 89.7 m-85 -129.46 143.73 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 47.0 t -149.73 137.92 20.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.408 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.16 160.78 40.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.628 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.38 148.69 52.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.37 -152.01 49.09 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.98 139.62 56.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 0.0 110.643 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.75 116.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.48 118.72 20.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.582 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.81 100.37 11.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.2 m -115.04 128.9 56.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.36 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.43 -166.4 1.13 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -54.9 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.623 0.249 . . . . 0.0 111.039 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.91 -106.33 1.35 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . 0.41 HG21 ' HB2' ' H' ' 96' ' ' SER . 45.6 p -108.03 107.54 18.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.98 135.0 20.27 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.572 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.88 136.1 49.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . 0.428 ' OG1' ' C ' ' G' ' 71' ' ' THR . 36.9 p -74.12 166.88 40.74 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.252 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . 0.402 ' C ' ' HB3' ' G' ' 72' ' ' PRO . 44.1 Cg_endo -89.25 103.09 0.37 Allowed 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.809 2.339 . . . . 0.0 114.418 -175.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.9 120.11 6.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.579 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.09 -87.65 0.27 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.77 86.66 2.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.084 0.468 . . . . 0.0 110.598 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.93 105.24 3.02 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.47 122.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.147 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m -110.09 110.29 21.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.378 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.67 90.9 0.63 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.78 123.53 0.7 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -94.08 -41.35 9.58 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.32 -67.43 1.23 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.768 -0.533 . . . . 0.0 111.768 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -148.42 112.92 5.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.958 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.24 84.71 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.344 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.91 118.08 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.468 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 96.7 p -144.95 167.21 23.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.981 0.419 . . . . 0.0 111.218 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.09 129.63 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.026 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.09 173.06 17.01 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.289 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 97.6 p -166.69 157.71 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.627 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.95 175.08 10.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.721 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.74 77.82 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.88 50.25 0.11 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.414 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.81 114.08 26.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.352 . . . . 0.0 110.675 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.88 128.62 38.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.35 119.27 28.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.241 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . 0.41 ' HB2' HG21 ' H' ' 68' ' ' THR . 6.1 t 66.16 -165.9 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.428 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.764 0.316 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.05 159.29 35.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.9 m -127.49 130.02 48.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.683 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -127.31 148.27 50.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.626 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . 0.4 HG22 ' N ' ' I' ' 48' ' ' SER . 1.0 OUTLIER -121.96 -52.82 1.97 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.992 179.784 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . 0.4 ' N ' HG22 ' I' ' 47' ' ' THR . 48.1 t -134.17 132.71 40.11 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.482 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 109.97 77.38 0.94 Allowed Glycine 0 C--O 1.223 -0.541 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.635 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . 0.524 ' HD2' ' HH ' ' I' ' 55' ' ' TYR . 68.2 m-85 25.94 72.26 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.28 93.98 0.31 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 67.22 93.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.837 0.351 . . . . 0.0 110.188 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.14 149.6 17.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -125.89 138.45 53.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . 0.524 ' HH ' ' HD2' ' I' ' 50' ' ' TYR . 89.7 m-85 -129.59 143.76 50.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.79 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.71 137.93 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.448 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 96.8 p -156.24 160.78 40.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.601 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -132.34 148.6 52.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.45 -152.01 48.96 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.94 139.63 56.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.79 0.328 . . . . 0.0 110.659 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.77 116.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.571 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.53 118.7 20.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.543 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.83 100.45 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -114.86 129.13 56.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.67 -166.23 1.18 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.73 -54.59 22.09 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.308 -0.157 . . . . 0.0 111.01 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.81 -106.58 1.39 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . 0.408 HG21 ' HB2' ' I' ' 96' ' ' SER . 47.7 p -107.82 107.31 18.01 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -147.71 134.89 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.8 m -109.79 135.85 50.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 111.002 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . 0.416 ' OG1' ' C ' ' H' ' 71' ' ' THR . 41.8 p -73.21 168.07 28.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -89.6 103.61 0.35 Allowed 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 122.749 2.299 . . . . 0.0 114.341 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -55.21 120.57 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.16 -87.41 0.27 Allowed Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.64 86.4 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 110.478 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.56 105.56 3.02 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.47 122.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.808 0.337 . . . . 0.0 111.041 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 89.1 m -110.07 110.2 21.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.41 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.4 90.93 0.64 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.87 123.5 0.7 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -94.0 -41.49 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.615 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.09 -67.25 1.24 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.57 112.99 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.34 84.89 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.366 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -126.04 118.06 24.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.353 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 97.1 p -144.91 166.99 23.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.972 0.415 . . . . 0.0 111.132 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -138.78 129.68 26.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.043 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.22 172.75 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 111.282 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -166.34 157.74 13.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.606 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -163.93 174.59 11.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.75 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -171.44 79.6 0.07 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.03 50.32 0.1 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 178.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -97.9 114.02 25.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.691 0.281 . . . . 0.0 110.602 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.98 128.68 38.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.43 119.4 29.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.218 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . 0.408 ' HB2' HG21 ' I' ' 68' ' ' THR . 6.0 t 66.18 -165.89 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.617 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 22.1 t80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.436 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.622 0.249 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -96.47 152.92 18.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.044 0.45 . . . . 0.0 111.561 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.5 m -128.96 125.89 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.497 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.29 139.69 25.93 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.892 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -93.52 -41.94 9.5 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.421 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -134.86 171.91 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.598 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.92 69.63 1.37 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.806 -0.518 . . . . 0.0 111.806 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.528 ' HD2' ' HH ' ' A' ' 55' ' ' TYR . 69.5 m-85 26.62 72.24 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.17 91.75 0.3 Allowed Glycine 0 CA--C 1.522 0.476 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 68.1 93.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.834 0.35 . . . . 0.0 110.067 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -158.44 145.44 17.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.4 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -126.64 145.82 50.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.71 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.528 ' HH ' ' HD2' ' A' ' 50' ' ' TYR . 92.9 m-85 -131.23 143.43 50.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.398 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.45 136.78 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.739 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 t -156.76 144.8 19.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.488 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.22 132.76 56.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.617 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.47 133.52 4.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.32 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.772 0.32 . . . . 0.0 110.67 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.56 140.53 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.65 67.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.84 117.52 34.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -128.14 131.34 48.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.52 -162.28 0.6 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.36 -53.39 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.943 0.401 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.57 -99.93 1.28 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.6 p -111.22 104.61 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.404 . . . . 0.0 110.396 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -161.07 173.75 14.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.544 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.7 t -139.54 130.62 26.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.251 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.0 p -69.0 173.35 3.75 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -90.82 104.62 0.28 Allowed 'Trans proline' 0 N--CA 1.487 1.123 0 C-N-CA 122.388 2.059 . . . . 0.0 114.611 -176.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -59.95 133.28 55.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.184 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.99 -91.73 0.32 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.24 -58.78 2.09 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.819 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.17 107.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.87 95.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.3 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.9 m -88.35 106.35 18.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.142 0.496 . . . . 0.0 110.592 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.87 -149.96 15.28 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.24 72.68 0.44 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -48.35 168.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.674 0.274 . . . . 0.0 110.661 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.39 47.88 1.27 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 66.74 140.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.1 m -103.78 -65.63 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.443 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.35 78.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.688 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.4 m -157.57 162.93 38.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.975 0.416 . . . . 0.0 111.237 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.6 p -144.16 148.5 35.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.041 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.88 166.53 15.5 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.028 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -164.18 162.32 22.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.68 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -163.57 158.17 20.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.91 72.27 0.25 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.23 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.22 50.04 0.09 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.76 119.06 35.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.69 136.01 30.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.0 m -130.58 122.48 27.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.295 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t 53.61 57.41 6.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.548 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.605 0.24 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.27 152.86 18.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.119 0.485 . . . . 0.0 111.455 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 82.7 m -128.91 126.01 38.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.564 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.5 139.72 25.67 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.091 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.77 -41.89 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.381 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -134.71 172.74 12.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 110.542 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 74.18 70.74 1.2 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.716 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.529 ' HD2' ' HH ' ' B' ' 55' ' ' TYR . 68.1 m-85 25.37 72.78 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.6 91.73 0.33 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.21 93.8 0.07 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.912 0.387 . . . . 0.0 110.021 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -158.44 145.41 17.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.434 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -126.7 145.82 50.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.694 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . 0.529 ' HH ' ' HD2' ' B' ' 50' ' ' TYR . 92.9 m-85 -131.2 143.38 50.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.43 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -146.44 136.85 23.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.73 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -156.81 144.85 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.439 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.27 132.78 56.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.607 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.49 133.45 4.97 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.44 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.59 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 47.1 t -148.57 140.44 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.55 66.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.78 117.56 34.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.52 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -127.94 131.57 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.82 -162.15 0.64 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.58 -53.26 24.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.639 0.257 . . . . 0.0 110.734 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.7 -100.26 1.31 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 28.7 p -111.05 104.45 13.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.665 0.269 . . . . 0.0 110.434 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.86 174.04 14.45 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.415 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.4 t -139.67 130.61 26.23 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.177 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.27 173.66 3.62 Favored Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -91.14 102.35 0.25 Allowed 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.559 2.173 . . . . 0.0 115.159 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.76 133.31 55.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.399 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.98 -91.77 0.32 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.82 -58.93 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.631 0.253 . . . . 0.0 110.811 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.32 108.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.74 95.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.878 0.37 . . . . 0.0 110.305 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 59.6 m -88.14 106.24 18.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.84 -149.23 14.7 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.02 72.77 0.42 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -48.41 168.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.33 48.1 1.25 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 66.91 141.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m -104.29 -65.56 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.343 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.42 77.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.717 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 65.6 m -157.53 162.92 38.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 0.0 111.15 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 92.3 p -144.13 148.41 35.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.043 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.86 166.53 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.064 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.08 162.3 22.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.777 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 31.4 t -163.54 158.25 20.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.9 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.25 74.09 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.081 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.62 50.04 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.67 118.96 35.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.78 136.19 30.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.67 122.32 27.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.348 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.74 57.39 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.464 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.612 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.629 0.252 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -96.25 152.78 18.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.09 0.471 . . . . 0.0 111.572 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 80.7 m -128.81 126.01 38.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.544 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.44 139.72 25.75 Favored 'General case' 0 C--O 1.22 -0.463 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.137 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.74 -41.93 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.443 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.75 172.74 12.54 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.548 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 74.15 70.82 1.19 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.66 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . 0.522 ' HD2' ' HH ' ' C' ' 55' ' ' TYR . 67.8 m-85 25.23 72.91 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.71 91.72 0.34 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.29 93.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.46 145.26 17.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.423 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -126.6 145.81 50.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.731 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . 0.522 ' HH ' ' HD2' ' C' ' 50' ' ' TYR . 92.7 m-85 -131.24 143.46 50.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.399 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.48 136.77 23.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.697 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -156.78 144.89 19.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.438 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.27 132.8 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.634 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.43 133.42 4.94 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.45 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.644 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 47.1 t -148.55 140.53 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.64 66.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.76 117.55 34.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 93.1 m -127.96 131.67 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.98 -162.14 0.67 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.5 -53.3 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.737 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.76 -100.27 1.31 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -111.08 104.51 13.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.678 0.275 . . . . 0.0 110.349 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.86 174.03 14.46 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.519 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.64 130.54 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.139 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.33 173.69 3.63 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -90.99 102.14 0.25 Allowed 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.707 2.272 . . . . 0.0 115.181 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.62 133.35 55.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.401 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.0 -91.72 0.32 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -58.92 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.658 0.266 . . . . 0.0 110.791 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.4 108.05 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t 53.79 95.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.303 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 59.1 m -87.97 106.29 18.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.756 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.82 -149.45 14.91 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.12 72.85 0.41 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -48.48 168.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.69 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.36 48.05 1.25 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 66.97 141.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.37 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 22.7 m -104.37 -65.68 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.239 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.49 77.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 65.5 m -157.45 162.89 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.003 0.43 . . . . 0.0 111.148 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 92.1 p -144.02 148.55 35.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.058 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.93 166.49 15.41 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.164 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.16 162.22 22.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.775 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 31.2 t -163.48 158.21 20.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.22 74.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.126 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.51 50.08 0.08 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.73 118.83 35.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.64 136.16 30.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.64 122.4 27.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.355 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.78 57.22 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.554 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.54 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.645 0.259 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -96.23 152.81 18.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.049 0.452 . . . . 0.0 111.53 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 80.6 m -128.99 125.9 38.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.593 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.3 139.7 25.92 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.216 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -93.83 -41.86 9.41 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.344 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.86 172.72 12.59 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.562 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 74.18 70.86 1.18 Allowed Glycine 0 CA--C 1.525 0.713 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.671 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . 0.516 ' HD2' ' HH ' ' D' ' 55' ' ' TYR . 67.4 m-85 25.17 73.11 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.85 91.81 0.35 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.17 93.83 0.07 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.068 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.53 145.32 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.374 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 67.2 m -126.66 145.76 50.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.717 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . 0.516 ' HH ' ' HD2' ' D' ' 50' ' ' TYR . 92.9 m-85 -131.24 143.56 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.335 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.54 136.71 23.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -156.7 144.94 19.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.418 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.33 132.88 56.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.38 133.52 4.95 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.3 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.623 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 47.0 t -148.48 140.54 23.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.59 66.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.639 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.76 117.57 34.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.6 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -128.04 131.6 49.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.64 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.85 -162.05 0.64 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.6 -53.17 25.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.682 0.277 . . . . 0.0 110.795 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.58 -100.17 1.31 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -111.04 104.43 12.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.641 0.258 . . . . 0.0 110.48 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.87 174.04 14.44 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.452 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.65 130.58 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 111.117 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.41 173.84 3.53 Favored Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -91.2 102.19 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 122.629 2.219 . . . . 0.0 115.302 -175.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.55 133.25 55.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.449 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.98 -91.64 0.32 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -58.95 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.791 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.35 108.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 11.6 t 53.76 95.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.952 0.406 . . . . 0.0 110.291 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 59.0 m -87.95 106.1 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.87 -149.36 14.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.15 72.83 0.41 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -48.45 168.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.596 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.26 48.05 1.26 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 67.08 141.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 22.3 m -104.36 -65.65 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.278 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.42 77.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 66.0 m -157.53 162.91 38.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 0.0 111.211 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 92.1 p -144.11 148.49 35.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.03 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.91 166.49 15.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.177 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.12 162.21 22.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.742 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 31.8 t -163.51 158.08 20.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.26 74.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.085 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.38 50.08 0.08 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.71 118.93 35.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.75 136.06 30.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.61 122.34 27.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.379 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.75 57.25 6.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.581 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.638 0.256 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.17 152.75 18.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.071 0.462 . . . . 0.0 111.554 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 82.0 m -128.95 126.22 39.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.572 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.82 140.26 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.245 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -95.26 -42.06 8.73 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.482 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -131.03 172.72 11.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.756 0.312 . . . . 0.0 111.3 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 75.0 70.76 1.22 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . 0.515 ' HD2' ' HH ' ' E' ' 55' ' ' TYR . 69.7 m-85 22.37 77.45 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 O-C-N 124.422 0.719 . . . . 0.0 111.667 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.66 90.38 0.47 Allowed Glycine 0 CA--C 1.518 0.22 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.68 94.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.951 0.405 . . . . 0.0 109.946 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.55 145.32 17.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 68.1 m -126.5 146.15 50.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . 0.515 ' HH ' ' HD2' ' E' ' 50' ' ' TYR . 93.0 m-85 -131.37 143.5 50.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.49 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.49 136.76 23.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.792 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -156.77 144.84 19.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.445 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.25 132.89 56.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.605 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.44 133.49 4.96 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.38 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.629 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.54 140.51 23.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.507 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.63 67.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.561 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -104.02 117.75 35.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.479 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -128.11 131.47 49.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.458 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.49 -162.24 0.59 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.42 -53.91 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.567 0.222 . . . . 0.0 110.628 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.13 -100.44 1.3 Allowed Glycine 0 N--CA 1.461 0.349 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 28.7 p -110.95 104.32 12.9 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.649 0.262 . . . . 0.0 110.418 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.79 174.01 14.53 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.455 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.64 130.59 26.25 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.136 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 7.8 p -69.36 173.81 3.54 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -92.64 107.67 0.21 Allowed 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 120.876 1.051 . . . . 0.0 113.903 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -60.4 133.18 55.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.247 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.97 -90.99 0.32 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.45 -57.83 2.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.29 109.84 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.331 -1.108 . . . . 0.0 110.331 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t 51.63 97.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.29 0.566 . . . . 0.0 110.086 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 59.5 m -88.8 106.27 18.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.685 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.2 14.7 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.18 72.51 0.46 Allowed Glycine 0 N--CA 1.459 0.216 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -48.91 168.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.402 . . . . 0.0 110.492 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.42 49.0 1.15 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 66.22 142.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.351 0.596 . . . . 0.0 111.023 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.24 -66.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.48 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.67 78.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 66.0 m -157.6 162.89 38.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.948 0.404 . . . . 0.0 111.208 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 92.4 p -144.07 148.49 35.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.149 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.96 166.5 15.35 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.191 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 97.0 p -163.8 162.25 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.728 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 31.5 t -162.8 158.45 22.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -163.94 74.11 0.3 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.303 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.98 50.09 0.08 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.36 118.62 33.28 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.943 -0.151 . . . . 0.0 111.076 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.65 136.22 30.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.682 0.277 . . . . 0.0 110.599 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 43.1 m -130.42 122.21 27.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.098 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 16.0 t 53.8 57.44 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.569 0.543 . . . . 0.0 110.556 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.596 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.564 0.221 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -96.22 152.87 18.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.079 0.466 . . . . 0.0 111.49 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 82.2 m -128.96 126.12 38.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.513 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.5 139.67 25.63 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 120.579 -0.449 . . . . 0.0 111.226 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.62 -42.0 9.43 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.397 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.66 172.98 12.19 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.559 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 73.86 71.09 1.15 Allowed Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.727 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . 0.506 ' HD2' ' HH ' ' F' ' 55' ' ' TYR . 66.7 m-85 24.84 73.07 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.79 91.77 0.35 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 68.21 93.75 0.07 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.4 145.34 17.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -126.6 145.84 50.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.697 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . 0.506 ' HH ' ' HD2' ' F' ' 50' ' ' TYR . 92.9 m-85 -131.29 143.46 50.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.388 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.5 136.83 23.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.692 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -156.77 144.92 19.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.378 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.24 132.8 56.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.639 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.5 133.57 5.02 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.34 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.644 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.5 140.55 23.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.526 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.63 66.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.564 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.82 117.62 34.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.503 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 93.4 m -128.05 131.66 49.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.487 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.92 -162.02 0.65 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.62 -53.32 24.77 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.755 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.7 -100.24 1.31 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -110.97 104.65 13.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.646 0.26 . . . . 0.0 110.46 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.97 174.09 14.31 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.467 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.71 130.57 26.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.074 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.36 173.61 3.72 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -91.03 102.14 0.25 Allowed 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.608 2.205 . . . . 0.0 115.268 -175.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.45 133.36 55.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.409 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.93 -91.79 0.32 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.6 -59.01 2.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.778 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.42 108.16 0.01 OUTLIER Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.55 95.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.341 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 59.4 m -88.09 106.32 18.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.4 14.88 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.1 72.93 0.4 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -48.5 168.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.378 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.35 48.07 1.25 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 67.08 141.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 22.6 m -104.42 -65.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.25 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.48 77.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.706 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 65.9 m -157.54 162.93 38.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 111.186 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 92.3 p -144.07 148.37 35.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.107 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.78 166.57 15.67 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.734 -0.387 . . . . 0.0 111.116 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 97.5 p -164.23 162.24 22.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.672 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 31.7 t -163.45 158.19 20.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.18 74.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.057 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.43 50.07 0.08 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.66 118.87 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.7 136.07 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 43.3 m -130.63 122.41 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.361 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.69 57.31 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.619 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.626 0.251 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 70.0 m -96.07 152.82 18.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.128 0.489 . . . . 0.0 111.52 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 81.2 m -128.93 125.92 38.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.544 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.37 139.68 25.81 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.167 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.74 -41.99 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.384 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.7 172.67 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.905 0.383 . . . . 0.0 110.577 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 74.16 70.92 1.17 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.689 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . 0.504 ' HD2' ' HH ' ' G' ' 55' ' ' TYR . 67.9 m-85 25.1 73.02 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.69 91.78 0.34 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.14 93.77 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.063 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 47.7 t -158.42 145.31 17.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.411 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -126.58 145.9 50.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.696 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . 0.504 ' HH ' ' HD2' ' G' ' 50' ' ' TYR . 92.9 m-85 -131.32 143.34 50.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.43 136.8 23.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.708 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 47.5 t -156.77 144.88 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.443 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.21 132.81 56.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.664 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.35 133.48 4.92 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.43 -174.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.313 . . . . 0.0 110.66 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.45 140.55 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.65 67.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.607 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.85 117.6 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 93.3 m -128.0 131.62 49.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.87 -162.02 0.64 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.6 -53.34 24.47 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.714 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.69 -100.24 1.31 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -111.0 104.46 13.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.663 0.268 . . . . 0.0 110.458 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.82 174.15 14.31 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.54 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.76 130.57 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.065 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.31 173.72 3.59 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -91.09 102.06 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.441 0 C-N-CA 122.639 2.226 . . . . 0.0 115.224 -175.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.44 133.33 55.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.485 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.0 -91.74 0.32 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.87 -58.94 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.769 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.42 108.17 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t 53.62 95.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.377 . . . . 0.0 110.369 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 58.9 m -87.94 106.27 18.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.805 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.79 -149.39 14.89 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.14 72.82 0.41 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -48.45 168.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 110.619 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.37 48.0 1.25 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 67.09 141.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 21.9 m -104.3 -65.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.34 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.46 77.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.716 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 65.6 m -157.5 162.92 38.88 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.202 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 92.2 p -144.11 148.4 35.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.055 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.82 166.52 15.62 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.119 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 97.6 p -164.16 162.31 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.719 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 31.6 t -163.46 158.16 20.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.27 74.47 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.011 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.44 50.01 0.08 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.65 118.84 35.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.66 136.03 30.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -130.57 122.47 27.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.347 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t 53.62 57.34 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.593 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.741 0.305 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.15 152.85 18.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.066 0.46 . . . . 0.0 111.492 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 81.6 m -128.91 126.0 38.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.605 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.43 139.61 25.69 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.272 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.8 -41.78 9.47 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.425 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.82 172.68 12.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.941 0.401 . . . . 0.0 110.436 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 74.14 70.98 1.17 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.674 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . 0.511 ' HD2' ' HH ' ' H' ' 55' ' ' TYR . 67.8 m-85 25.16 72.92 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.76 91.7 0.34 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.22 93.64 0.07 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.918 0.389 . . . . 0.0 110.115 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -158.37 145.41 17.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.37 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 67.9 m -126.7 145.88 50.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.672 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . 0.511 ' HH ' ' HD2' ' H' ' 50' ' ' TYR . 92.9 m-85 -131.22 143.42 50.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 48.0 t -146.43 136.84 23.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.726 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -156.81 144.88 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.429 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.2 132.84 56.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.649 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.43 133.41 4.93 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.43 -174.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.854 0.359 . . . . 0.0 110.608 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.52 140.51 23.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.58 67.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.581 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.89 117.56 34.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.505 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -127.99 131.68 49.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.93 -162.02 0.65 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.58 -53.44 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.612 0.244 . . . . 0.0 110.674 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.76 -100.25 1.3 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -111.03 104.52 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.638 0.256 . . . . 0.0 110.433 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.87 174.09 14.37 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.431 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.73 130.6 26.11 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.068 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.34 173.73 3.59 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -91.05 102.11 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.604 2.203 . . . . 0.0 115.193 -175.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.51 133.36 55.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.405 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.99 -91.8 0.32 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 -58.99 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.817 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.36 108.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.62 95.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.247 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 59.5 m -87.97 106.23 17.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.809 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.77 -149.32 14.86 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 72.91 0.4 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -48.46 168.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.651 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.32 48.06 1.25 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 67.07 141.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m -104.41 -65.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.256 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.5 77.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.781 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 65.4 m -157.48 162.97 38.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.973 0.416 . . . . 0.0 111.256 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 92.7 p -144.13 148.4 35.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.84 166.51 15.59 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.125 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 97.0 p -164.08 162.29 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.678 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 31.3 t -163.48 158.27 20.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.36 74.71 0.29 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.25 50.03 0.08 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.68 118.81 35.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.745 0.307 . . . . 0.0 110.933 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.69 136.1 30.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 43.7 m -130.63 122.44 27.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.382 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.69 57.38 6.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.582 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.641 0.258 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.22 152.67 18.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.036 0.446 . . . . 0.0 111.507 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 75.4 m -128.85 126.23 39.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.642 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.58 140.41 26.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -94.74 -42.29 8.82 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.496 -0.481 . . . . 0.0 111.19 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.52 172.79 12.43 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.585 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 74.27 70.88 1.18 Allowed Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.711 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . 0.508 ' HD2' ' HH ' ' I' ' 55' ' ' TYR . 66.7 m-85 25.15 74.15 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.8 91.65 0.43 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.28 92.97 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.823 0.344 . . . . 0.0 110.089 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -157.78 145.51 18.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.438 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -126.71 145.86 50.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . 0.508 ' HH ' ' HD2' ' I' ' 50' ' ' TYR . 92.9 m-85 -131.22 143.54 50.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.375 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.54 136.77 23.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.712 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -156.8 144.84 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.41 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.24 132.9 56.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.44 133.45 4.95 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.35 -174.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.608 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 47.3 t -148.52 140.42 23.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.484 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -170.45 67.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.541 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -104.04 117.61 34.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.525 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 94.0 m -127.89 131.89 49.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.22 -161.87 0.73 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.79 -53.35 25.72 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.83 -100.32 1.31 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 29.5 p -110.92 104.37 12.96 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.82 174.03 14.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.047 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.65 130.93 26.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.912 0.387 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 8.3 p -69.08 174.27 2.96 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -91.01 102.69 0.26 Allowed 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.617 2.211 . . . . 0.0 114.961 -176.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -58.02 133.71 55.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.14 -91.66 0.32 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.44 -59.24 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.038 0.447 . . . . 0.0 110.734 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.7 108.51 0.01 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.52 95.71 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.858 0.361 . . . . 0.0 110.365 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 60.6 m -87.6 105.75 17.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.815 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.38 -149.11 15.12 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.08 73.21 0.37 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -48.77 168.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.144 0.497 . . . . 0.0 110.512 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.28 48.27 1.24 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.9 t 66.86 141.75 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.957 0.408 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 22.6 m -104.52 -65.57 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.295 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.38 77.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 65.7 m -157.48 162.84 38.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 111.21 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 92.2 p -143.99 148.42 35.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.133 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.95 166.24 15.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.131 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -163.79 162.2 23.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -163.41 158.14 20.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.018 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -164.4 76.47 0.33 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.07 50.03 0.07 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.65 118.7 34.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.84 0.353 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.66 136.12 30.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 42.3 m -130.66 122.43 27.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.4 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.69 57.33 6.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.462 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.549 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.741 0.305 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.02 160.34 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.758 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -127.02 129.47 48.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.683 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -125.61 146.62 49.62 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.58 -53.25 2.11 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.308 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -135.52 130.2 34.25 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.8 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.81 75.52 0.84 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.378 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 32.05 70.38 0.1 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.63 96.2 0.49 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 68.43 84.22 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.879 0.371 . . . . 0.0 110.258 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -160.93 144.21 13.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.469 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -142.92 125.84 16.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.535 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -63.19 -46.92 84.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.538 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.34 42.02 13.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.787 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.23 127.14 54.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.392 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -62.61 -39.6 94.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.621 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.8 10.09 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -155.37 131.91 10.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 110.399 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.6 m -130.65 148.07 52.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 49.49 63.47 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.629 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -89.96 113.35 24.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -117.03 130.64 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.535 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.63 -162.2 0.92 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -61.68 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 111.034 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.1 -96.57 0.71 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.2 p -117.43 109.13 16.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.111 0.482 . . . . 0.0 110.303 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -151.55 137.41 18.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.761 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -108.91 133.22 53.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.995 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.3 p -72.82 165.23 54.15 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.747 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.4 ' N ' ' OG1' ' B' ' 71' ' ' THR . 40.8 Cg_endo -90.11 105.97 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.77 2.313 . . . . 0.0 114.268 -176.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -57.15 139.69 51.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.281 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.89 87.41 1.14 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 60.91 81.95 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.238 0.542 . . . . 0.0 111.316 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.42 -88.51 0.01 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.5 p -138.24 132.13 31.29 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.405 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.04 96.65 2.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.03 102.55 0.13 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.57 94.26 0.09 OUTLIER Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -80.72 -72.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.034 0.445 . . . . 0.0 110.416 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.68 -58.33 2.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -160.39 137.46 9.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.3 t -139.57 98.13 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.298 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.88 104.3 9.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -146.85 163.67 35.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 111.211 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.68 150.59 48.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.263 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.75 1.77 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.029 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -170.46 158.37 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.485 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.3 m -163.38 173.71 12.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.5 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.37 78.65 0.07 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.392 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.1 49.77 0.12 Allowed Glycine 0 CA--C 1.528 0.85 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.628 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -98.03 113.36 25.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.706 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -131.22 126.44 35.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.54 107.93 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.41 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.15 25.96 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.657 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.755 0.312 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 87.1 p -73.2 160.33 32.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.6 m -127.06 129.26 47.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.709 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -125.25 146.3 49.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.84 -53.19 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.204 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -135.12 130.71 35.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.94 77.96 1.02 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.059 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 29.58 71.0 0.07 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.09 96.24 0.53 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 68.59 83.95 0.15 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.885 0.374 . . . . 0.0 110.213 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -160.78 144.19 13.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -143.03 125.85 16.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.458 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.24 -46.92 84.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.522 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.37 41.94 13.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.801 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.14 126.75 53.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -62.32 -39.54 93.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.684 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.81 132.83 10.1 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.33 131.98 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.702 0.287 . . . . 0.0 110.396 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 62.2 m -130.76 148.02 52.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.649 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.53 63.48 2.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.13 113.39 25.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.682 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -116.82 130.67 56.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.604 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.9 -162.14 1.01 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -61.79 1.86 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.698 0.285 . . . . 0.0 110.945 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.4 -96.79 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.32 109.05 16.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.794 0.331 . . . . 0.0 110.199 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -151.5 136.61 17.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 74.5 m -107.92 133.13 52.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . 0.418 ' C ' ' OG1' ' C' ' 71' ' ' THR . 29.9 p -73.2 166.1 46.75 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.551 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . 0.405 ' N ' ' OG1' ' C' ' 71' ' ' THR . 39.6 Cg_endo -90.77 104.29 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 122.967 2.445 . . . . 0.0 114.863 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.36 139.64 42.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.522 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.94 87.44 1.15 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 61.32 82.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 111.213 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.53 -88.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 38.1 p -138.08 132.18 31.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 0.0 110.315 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.87 96.13 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.091 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.92 102.91 0.13 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.69 94.09 0.09 OUTLIER Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.14 -72.09 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 110.434 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.69 -58.24 2.3 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.31 137.55 9.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 110.679 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.63 98.12 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.347 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -120.81 103.44 9.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.523 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.98 163.96 33.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.299 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 92.8 p -136.76 150.47 48.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.249 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.77 176.79 1.8 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 111.118 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 94.0 p -170.49 158.25 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 58.4 m -163.21 173.74 13.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.702 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.52 80.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.234 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.08 49.91 0.1 Allowed Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.599 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.08 113.23 25.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.816 0.341 . . . . 0.0 110.754 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -131.22 126.46 35.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.774 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.46 107.92 11.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.47 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.19 25.86 10.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.733 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.601 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.783 0.325 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.15 160.27 32.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.0 129.29 47.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.662 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.31 146.25 49.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.387 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.78 -53.28 2.08 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.287 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -135.13 130.85 36.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.709 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.8 78.15 1.04 Allowed Glycine 0 C--O 1.222 -0.633 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.041 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 29.29 71.06 0.06 Allowed 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.02 96.27 0.52 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.52 83.96 0.15 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.932 0.396 . . . . 0.0 110.232 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -160.78 144.12 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.548 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -142.94 125.83 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.481 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.14 -46.94 84.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.515 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 59.3 m 47.36 42.0 13.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.731 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.22 126.72 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -62.21 -39.64 93.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.715 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.71 132.8 10.11 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.31 131.99 10.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.765 0.316 . . . . 0.0 110.449 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 61.3 m -130.62 147.98 52.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.734 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.59 63.51 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.614 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.3 113.37 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.584 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.5 m -116.87 130.76 56.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.9 -162.17 1.01 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -61.83 1.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 110.929 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.47 -96.83 0.71 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.27 109.02 16.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.793 0.33 . . . . 0.0 110.31 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -151.38 136.72 17.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.796 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 74.1 m -108.12 133.02 52.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.915 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.418 ' OG1' ' C ' ' B' ' 71' ' ' THR . 29.9 p -73.18 166.16 46.21 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.537 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . 0.405 ' N ' ' OG1' ' D' ' 71' ' ' THR . 38.6 Cg_endo -90.72 104.04 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 123.009 2.472 . . . . 0.0 114.972 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.13 139.59 41.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.523 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.09 87.48 1.16 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.24 82.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.954 0.407 . . . . 0.0 111.147 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.58 -88.38 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 37.5 p -138.02 132.17 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.236 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.9 96.24 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.093 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.97 103.01 0.14 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.71 94.05 0.09 OUTLIER Glycine 0 CA--C 1.519 0.33 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -81.18 -72.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.67 -58.26 2.29 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -160.4 137.42 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.697 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.53 98.14 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.384 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.86 103.31 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.82 163.99 33.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.225 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 92.7 p -136.78 150.44 48.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.228 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.75 176.76 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.082 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.5 p -170.43 158.28 6.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.427 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.3 173.69 12.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.752 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.51 80.62 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.202 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.32 50.08 0.1 Allowed Glycine 0 CA--C 1.527 0.823 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.473 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.16 113.19 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.705 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.22 126.48 35.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 107.95 11.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.402 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.2 25.9 10.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.649 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.525 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.792 0.33 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.07 160.4 32.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.028 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -127.19 129.13 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -125.17 146.16 49.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.79 -53.27 2.08 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -135.07 131.03 36.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.821 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.75 78.08 1.04 Allowed Glycine 0 C--O 1.222 -0.642 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.018 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' E' ' 49' ' ' GLY . 10.7 m-85 29.21 71.24 0.06 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.06 96.22 0.53 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.61 84.02 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.872 0.368 . . . . 0.0 110.2 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.87 143.98 13.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.639 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -142.86 125.81 16.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -63.15 -47.06 84.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.461 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m 47.49 42.01 13.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.766 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.29 126.59 53.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -62.11 -39.59 93.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.783 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.77 132.75 10.06 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.21 132.05 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.7 0.286 . . . . 0.0 110.439 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 61.6 m -130.72 147.93 52.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.749 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 49.52 63.56 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.958 0.409 . . . . 0.0 110.578 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.19 113.43 25.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.634 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.7 m -117.05 130.59 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.61 -162.06 0.89 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -61.48 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.609 0.242 . . . . 0.0 110.973 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.16 -96.81 0.72 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.25 108.93 16.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.773 0.32 . . . . 0.0 110.366 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -151.45 136.69 17.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.807 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 74.5 m -107.98 133.1 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.963 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . 0.42 ' C ' ' OG1' ' E' ' 71' ' ' THR . 30.0 p -73.28 166.2 45.96 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . 0.417 ' HB3' ' C ' ' E' ' 72' ' ' PRO . 38.4 Cg_endo -90.83 104.09 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 123.032 2.488 . . . . 0.0 114.986 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.2 139.57 41.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.578 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.01 87.46 1.15 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 61.15 82.23 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.98 0.419 . . . . 0.0 111.204 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.55 -88.32 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 39.4 p -138.03 132.31 32.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.31 . . . . 0.0 110.255 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.04 96.04 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.377 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.67 102.86 0.13 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.75 94.03 0.09 OUTLIER Glycine 0 CA--C 1.519 0.305 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.02 -72.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.6 -58.16 2.32 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.43 137.55 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.659 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.63 98.09 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.364 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.81 103.38 9.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.86 163.93 33.54 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.238 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 92.9 p -136.79 150.49 48.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.79 176.73 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 0.0 111.064 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -170.39 158.36 6.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.401 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.36 173.53 13.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.652 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.49 80.68 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.17 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.26 50.02 0.1 Allowed Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.597 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.1 113.11 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 110.763 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.16 126.44 35.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.692 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.47 107.84 11.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.49 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.25 25.85 10.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.76 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.787 0.327 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.09 160.33 32.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.5 m -127.17 129.32 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.665 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -125.12 146.3 49.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.58 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . 0.414 HG22 ' N ' ' E' ' 48' ' ' SER . 1.1 m -121.76 -51.21 2.04 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 119.38 -0.928 . . . . 0.0 112.157 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . 0.414 ' N ' HG22 ' E' ' 47' ' ' THR . 40.4 t -131.28 128.83 40.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.234 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.72 71.95 0.63 Allowed Glycine 0 C--O 1.216 -0.993 0 C-N-CA 118.104 -1.998 . . . . 0.0 113.212 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' E' ' 49' ' ' GLY . 11.6 m-85 29.09 75.63 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.266 0.555 . . . . 0.0 111.213 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.49 93.88 0.55 Allowed Glycine 0 CA--C 1.518 0.225 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 69.38 84.23 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.987 0.423 . . . . 0.0 110.198 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -160.89 144.14 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.5 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.87 125.89 16.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.546 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -63.14 -46.98 84.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.569 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 57.5 m 47.34 41.95 13.14 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.16 126.66 53.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.922 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -62.18 -39.63 93.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.638 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.82 132.75 10.06 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.22 132.08 10.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.758 0.313 . . . . 0.0 110.378 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 62.3 m -130.82 148.04 52.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.27 63.94 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.611 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.5 113.74 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.578 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -117.09 130.68 56.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.432 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.59 -162.26 0.91 Allowed Glycine 0 CA--C 1.524 0.637 0 O-C-N 124.017 0.823 . . . . 0.0 111.131 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.89 -61.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.592 0.234 . . . . 0.0 111.035 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.22 -97.03 0.72 Allowed Glycine 0 N--CA 1.464 0.537 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.08 108.88 16.26 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -151.28 137.38 18.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 0.0 110.787 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 72.9 m -108.78 133.75 52.42 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.668 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . 0.422 ' C ' ' OG1' ' F' ' 71' ' ' THR . 30.2 p -73.5 166.26 45.59 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.585 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . 0.417 ' C ' ' HB3' ' D' ' 72' ' ' PRO . 42.4 Cg_endo -91.91 108.03 0.25 Allowed 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 121.869 1.713 . . . . 0.0 113.899 -176.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -57.63 140.04 52.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.297 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.82 87.31 1.14 Allowed Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 62.1 80.42 0.23 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.453 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.62 -90.27 0.01 OUTLIER Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 42.1 p -136.93 132.63 34.71 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.018 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.4 99.03 2.87 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.742 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.26 105.84 0.55 Allowed Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.87 97.31 0.21 Allowed Glycine 0 C--N 1.335 0.503 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -82.12 -73.4 0.39 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.07 0.462 . . . . 0.0 110.462 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.14 -58.13 2.38 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.3 137.58 9.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.67 0.272 . . . . 0.0 110.615 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 32.9 t -139.5 97.22 3.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.72 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.12 102.46 8.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.0 110.64 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.76 163.39 35.11 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.007 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 92.8 p -136.64 150.44 48.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.278 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.8 1.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.109 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -169.88 158.51 7.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.469 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -162.83 174.12 12.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.851 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.28 79.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.455 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.74 49.46 0.11 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.606 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -96.32 112.82 24.43 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 122.856 -0.203 . . . . 0.0 111.136 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.07 126.6 36.26 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.799 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.37 108.05 11.78 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.527 0.517 . . . . 0.0 110.089 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.2 25.93 10.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.831 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.68 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.04 160.32 32.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -127.09 129.28 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.625 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.24 146.16 49.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.8 -53.36 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.183 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -135.07 130.61 35.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.801 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 108.98 78.48 1.06 Allowed Glycine 0 C--O 1.222 -0.615 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.925 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' F' ' 49' ' ' GLY . 10.4 m-85 29.05 71.18 0.06 Allowed 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.16 96.17 0.53 Allowed Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.65 83.91 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.86 0.362 . . . . 0.0 110.192 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -160.85 144.11 13.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.604 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.89 125.81 16.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.592 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -63.23 -46.91 84.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.481 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.33 42.06 13.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 77.5 p -109.3 126.64 53.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -62.09 -39.67 93.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.731 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.73 132.78 10.09 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.27 132.12 10.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.32 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -130.84 147.97 52.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.626 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.57 63.46 2.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.679 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.19 113.47 25.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.593 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.9 130.83 56.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.427 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.02 -161.97 1.02 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.94 -61.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.621 0.248 . . . . 0.0 110.908 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.42 -96.87 0.71 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.14 109.13 16.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -151.46 136.7 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.786 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 74.7 m -108.05 133.03 52.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.028 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . 0.422 ' OG1' ' C ' ' E' ' 71' ' ' THR . 30.0 p -73.21 166.13 46.46 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . 0.409 ' C ' ' HB3' ' E' ' 72' ' ' PRO . 38.9 Cg_endo -90.75 104.01 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 123.017 2.478 . . . . 0.0 114.978 -175.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.08 139.48 41.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.561 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.07 87.58 1.16 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.4 81.94 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.874 0.369 . . . . 0.0 111.154 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.46 -88.37 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 38.1 p -138.03 132.2 31.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.213 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.85 96.13 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.063 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.93 102.93 0.14 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.65 94.02 0.09 OUTLIER Glycine 0 CA--C 1.518 0.274 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -81.0 -72.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.467 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.66 -58.17 2.31 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 47.8 t -160.43 137.42 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.662 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.59 98.19 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.324 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.81 103.36 9.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.494 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.92 163.96 33.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.922 0.391 . . . . 0.0 111.176 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 93.0 p -136.77 150.54 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.307 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.81 176.72 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -170.43 158.27 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.469 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.28 173.71 12.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.789 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.43 80.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.26 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.2 49.97 0.1 Allowed Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.633 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.04 113.14 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.735 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.17 126.48 35.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.748 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.48 107.88 11.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.15 25.95 10.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.676 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.86 0.362 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.08 160.37 32.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.17 129.24 47.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -125.24 146.29 49.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.413 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.88 -53.34 2.07 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -135.03 130.86 36.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.845 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 108.81 78.13 1.04 Allowed Glycine 0 C--O 1.223 -0.585 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.033 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' G' ' 49' ' ' GLY . 10.5 m-85 29.45 71.06 0.07 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.1 96.23 0.53 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.61 83.86 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.39 . . . . 0.0 110.258 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.76 144.14 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.92 125.82 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -63.27 -46.91 84.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.461 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m 47.3 42.04 13.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.22 126.69 53.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -62.15 -39.61 93.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.729 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.76 132.77 10.08 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -155.3 132.07 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.726 0.298 . . . . 0.0 110.411 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 62.2 m -130.73 147.99 52.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.56 63.42 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.659 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.11 113.4 25.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.86 130.72 56.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -162.09 0.99 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -61.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.609 0.242 . . . . 0.0 110.927 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.43 -96.84 0.71 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.17 108.96 16.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.752 0.31 . . . . 0.0 110.258 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -151.47 136.71 17.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.758 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 74.3 m -108.13 133.09 52.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . 0.419 ' OG1' ' C ' ' F' ' 71' ' ' THR . 30.2 p -73.29 166.25 45.51 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.484 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . 0.408 ' HB3' ' C ' ' H' ' 72' ' ' PRO . 38.5 Cg_endo -90.75 103.92 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 123.039 2.493 . . . . 0.0 115.001 -175.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.0 139.53 40.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.569 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.02 87.38 1.16 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.3 82.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 111.179 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.56 -88.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 40.3 p -138.21 132.23 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.174 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.86 96.19 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.94 103.01 0.14 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.7 94.1 0.09 OUTLIER Glycine 0 CA--C 1.519 0.326 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -81.19 -72.1 0.44 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.442 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.63 -58.24 2.3 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -160.41 137.47 9.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.627 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.57 98.11 3.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.331 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.77 103.36 9.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.91 163.95 33.53 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.266 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.74 150.56 48.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.236 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.74 1.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.101 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -170.39 158.3 6.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.484 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.29 173.63 13.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.827 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.5 80.69 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.202 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.34 50.14 0.1 Allowed Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.551 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.2 113.15 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.849 0.357 . . . . 0.0 110.715 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.19 126.47 35.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.764 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.55 107.9 11.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.388 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.28 25.78 10.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.723 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.62 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.808 0.337 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 87.1 p -73.13 160.37 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.14 129.2 47.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.24 146.24 49.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.422 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.88 -53.26 2.07 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.202 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -135.07 130.8 36.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.763 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 108.9 78.07 1.03 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.038 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' H' ' 49' ' ' GLY . 10.5 m-85 29.36 71.09 0.06 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.09 96.28 0.53 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.58 83.96 0.15 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 110.265 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.84 144.08 13.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.593 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.5 t -142.86 125.84 16.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.563 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.18 -46.96 84.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.503 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 58.4 m 47.35 41.99 13.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.794 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.21 126.7 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.906 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -62.22 -39.63 93.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.658 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.79 10.09 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -155.36 132.06 10.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.307 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 62.1 m -130.76 147.99 52.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.61 63.45 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.24 113.43 25.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.652 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.85 130.79 56.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.93 -162.02 1.0 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.93 -61.85 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.568 0.223 . . . . 0.0 110.92 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.48 -96.88 0.71 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.15 108.97 16.33 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -151.42 136.84 17.7 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.779 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 74.2 m -108.19 133.14 52.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . 0.417 ' OG1' ' C ' ' G' ' 71' ' ' THR . 30.1 p -73.27 166.17 46.19 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.534 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . 0.408 ' C ' ' HB3' ' G' ' 72' ' ' PRO . 39.6 Cg_endo -90.68 103.95 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.997 2.465 . . . . 0.0 114.95 -175.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.01 139.6 40.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.607 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.99 87.48 1.15 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.38 82.14 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.54 -88.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 39.4 p -138.1 132.2 31.69 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.224 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.88 96.12 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.057 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.84 103.01 0.14 Allowed Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.72 94.07 0.09 OUTLIER Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.18 -72.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.69 -58.12 2.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.43 137.47 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.796 0.332 . . . . 0.0 110.647 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 33.0 t -139.62 98.16 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.362 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.83 103.25 8.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.8 163.95 33.41 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.263 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.8 150.51 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.217 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.85 176.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.104 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 93.8 p -170.4 158.28 6.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.464 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 58.6 m -163.28 173.59 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.51 80.96 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.182 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.46 50.03 0.1 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.582 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.05 113.14 24.92 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.719 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.15 126.5 35.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.753 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 107.88 11.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.2 25.95 10.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.708 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.574 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.834 0.35 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 86.7 p -72.99 160.36 32.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -127.2 129.12 47.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.66 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -125.4 145.4 50.07 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.513 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -120.36 -53.85 2.11 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.162 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -134.45 131.07 37.68 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.796 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 108.81 78.19 1.04 Allowed Glycine 0 C--O 1.223 -0.569 0 C-N-CA 120.355 -0.926 . . . . 0.0 111.938 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' I' ' 49' ' ' GLY . 10.5 m-85 29.09 72.82 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.42 96.18 0.63 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 68.52 83.56 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.886 0.374 . . . . 0.0 110.277 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -160.41 144.17 13.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.573 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.95 125.83 16.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.502 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.18 -46.98 84.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 58.3 m 47.45 41.89 13.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.791 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.19 126.76 53.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.393 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -62.26 -39.57 93.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.643 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.71 10.04 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.29 132.08 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.312 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 61.4 m -130.73 148.0 52.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.631 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.55 63.43 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.668 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.18 113.4 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.66 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -116.71 130.81 56.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.01 -161.94 1.01 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.07 -61.65 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.887 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.34 -96.95 0.72 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 46.2 p -117.05 108.79 16.17 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -151.23 136.81 17.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.58 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 74.8 m -108.02 133.08 52.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . 0.404 ' OG1' ' C ' ' H' ' 71' ' ' THR . 30.8 p -72.47 167.29 34.2 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -91.09 104.76 0.27 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.978 2.452 . . . . 0.0 114.813 -177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -55.66 139.96 42.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.565 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.17 87.49 1.17 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.57 82.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.287 -0.165 . . . . 0.0 110.961 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.58 -88.1 0.01 OUTLIER Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 39.2 p -137.98 132.17 31.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.81 96.18 2.42 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.027 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.14 103.25 0.16 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.62 94.66 0.09 OUTLIER Glycine 0 CA--C 1.521 0.412 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -82.51 -71.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.264 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.64 -58.09 2.33 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 48.1 t -160.43 137.54 9.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.713 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.66 98.1 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.385 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.79 103.27 8.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.42 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.84 163.6 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.2 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 92.6 p -136.43 150.42 48.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.273 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.88 176.35 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.087 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -169.98 158.45 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.517 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 58.6 m -163.38 173.12 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.905 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.18 82.85 0.08 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.69 50.04 0.09 OUTLIER Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.608 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -98.08 113.07 24.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.27 126.46 35.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.5 107.93 11.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.447 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.21 25.91 10.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.671 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.626 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.744 0.307 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.6 p -69.8 157.37 37.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.294 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.2 m -129.16 122.63 30.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.817 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -150.59 125.72 9.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.6 m -50.1 -60.9 2.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.26 0.552 . . . . 0.0 110.016 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -131.55 -95.82 0.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.091 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.31 51.74 20.19 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.659 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 48.96 -168.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.455 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.56 -53.0 1.36 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -164.06 -81.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.657 0.265 . . . . 0.0 110.438 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -130.19 126.91 38.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.894 0.378 . . . . 0.0 110.682 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.1 p -103.26 148.81 25.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.245 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -121.21 138.82 54.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.9 m -155.56 141.27 17.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.473 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.7 p -156.65 148.89 23.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.7 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.27 177.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.904 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.35 153.72 25.29 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.88 -40.18 92.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.7 m -91.8 178.75 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.558 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.88 -177.65 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.638 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -58.29 119.69 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.697 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.5 m -126.93 139.21 53.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.438 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.1 -161.86 0.1 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.31 -49.38 44.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.61 -99.85 1.35 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.02 110.91 19.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 0.0 110.219 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.45 7.95 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.802 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.8 m -125.4 120.87 32.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.947 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.406 HG22 ' HD2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -85.99 171.75 9.84 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.767 -179.328 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.406 ' HD2' HG22 ' A' ' 71' ' ' THR . 73.4 Cg_exo -42.96 169.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 123.187 2.591 . . . . 0.0 113.584 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -98.97 -158.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.498 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.68 91.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -177.63 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.727 0.298 . . . . 0.0 110.889 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.05 -173.07 3.05 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.61 86.85 4.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.727 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.402 ' OG1' HG22 ' B' ' 78' ' ' THR . 43.0 p -67.42 158.36 31.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.004 0.43 . . . . 0.0 109.992 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.71 -158.61 4.4 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.74 -80.3 1.42 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -54.08 174.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.853 0.358 . . . . 0.0 110.714 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.69 -36.89 3.29 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 t 73.18 131.11 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.85 0.357 . . . . 0.0 110.687 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.1 t -117.39 122.57 44.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.475 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.87 104.59 7.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.436 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.01 174.3 10.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.104 0.478 . . . . 0.0 111.222 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.46 138.22 23.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.924 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.92 -166.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.558 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -165.32 169.61 15.62 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.334 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.67 118.3 22.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.061 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -130.81 101.61 5.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.754 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.64 53.56 0.63 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.49 110.79 23.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.66 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.44 132.44 27.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.834 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.6 m -127.65 128.03 44.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.298 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.3 79.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.593 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.816 0.341 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -69.9 157.48 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.317 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.3 m -129.26 122.81 30.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -150.75 125.76 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.471 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.37 -61.25 2.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.029 0.443 . . . . 0.0 109.872 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -131.31 -95.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.03 53.86 13.54 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.475 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.82 -168.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 0.0 110.748 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.91 -53.01 1.32 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.21 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.605 0.24 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 69.6 m -130.0 127.03 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 98.3 p -103.26 148.74 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.286 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -121.21 138.8 54.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 70.0 m -155.53 141.33 18.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.517 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 94.1 p -156.69 148.81 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.709 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.35 177.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.37 153.23 24.47 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.41 -40.15 89.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.571 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -91.79 178.94 5.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.49 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -152.07 -177.71 6.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.626 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.24 119.68 7.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.723 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 91.7 m -126.8 139.34 53.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.429 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.3 -161.77 0.11 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.5 -49.4 45.91 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.674 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.66 -100.06 1.37 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.55 110.85 19.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 110.175 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.53 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.906 -0.718 . . . . 0.0 111.722 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -125.44 120.84 32.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.857 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . 0.405 HG22 ' HD2' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -85.66 171.93 9.65 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.596 -179.324 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . 0.405 ' HD2' HG22 ' B' ' 71' ' ' THR . 69.1 Cg_exo -42.72 170.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 123.258 2.638 . . . . 0.0 113.404 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -100.86 -158.8 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.0 91.83 0.01 OUTLIER Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -176.99 -41.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.772 0.32 . . . . 0.0 110.725 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.82 -173.05 3.75 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -95.54 86.81 4.55 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.61 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.408 ' OG1' HG22 ' C' ' 78' ' ' THR . 43.4 p -66.99 158.63 30.44 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.025 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.18 -158.27 4.65 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.6 -80.1 1.41 Allowed Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -54.37 174.07 0.07 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.93 0.395 . . . . 0.0 110.898 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.17 -37.47 3.27 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.85 130.93 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.852 0.358 . . . . 0.0 110.628 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 44.3 t -117.18 122.68 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.85 103.37 6.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.646 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.77 174.54 10.47 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.414 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.41 138.06 23.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.889 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.65 -166.22 0.24 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.702 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -165.36 169.61 15.56 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.509 -0.477 . . . . 0.0 111.28 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.59 118.18 22.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.067 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -131.14 102.06 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.33 54.24 0.62 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -96.64 110.67 23.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.802 0.334 . . . . 0.0 110.674 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.43 132.49 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 66.5 m -127.62 128.13 45.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.361 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.2 79.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.565 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.717 0.294 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 82.7 p -69.81 157.42 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.313 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -129.32 122.81 30.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.802 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -150.71 125.82 9.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.481 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.43 -61.31 2.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 109.888 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -131.28 -95.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.12 53.81 13.98 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.426 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.86 -168.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.853 0.358 . . . . 0.0 110.819 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.91 -52.98 1.33 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.29 -81.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.618 0.247 . . . . 0.0 110.437 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 70.0 m -130.02 126.93 38.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.954 0.407 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.16 148.72 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.334 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -121.19 138.87 54.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.91 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 69.7 m -155.61 141.33 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.48 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 93.8 p -156.72 148.78 22.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.756 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.26 177.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.27 153.21 24.28 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.33 -40.24 89.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.563 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 66.3 m -91.79 178.88 5.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -152.01 -177.63 6.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.638 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.35 119.77 7.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -126.85 139.49 53.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.431 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.39 -161.7 0.11 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.53 -49.43 46.09 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.67 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.7 -100.05 1.36 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.59 110.87 19.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.27 171.55 7.86 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.813 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 71.0 m -125.39 120.75 31.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.875 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.406 HG22 ' HD2' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -85.6 171.9 9.73 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.619 -179.386 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . 0.406 ' HD2' HG22 ' C' ' 71' ' ' THR . 69.2 Cg_exo -42.63 170.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 123.299 2.666 . . . . 0.0 113.398 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.03 -158.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.92 91.89 0.01 OUTLIER Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -176.96 -41.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.92 -173.11 3.82 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.58 86.73 4.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.666 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.408 HG22 ' OG1' ' B' ' 78' ' ' THR . 43.5 p -66.97 158.75 30.09 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.18 -158.26 4.64 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.67 -80.07 1.41 Allowed Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -54.47 174.02 0.07 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.761 0.315 . . . . 0.0 110.994 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.19 -37.48 3.27 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.97 130.96 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.588 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.29 122.52 44.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.72 103.42 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.705 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.8 174.59 10.42 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.4 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.34 138.05 23.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.993 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.68 -166.23 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.68 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.6 p -165.32 169.48 15.77 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.346 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.44 118.22 22.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.114 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -131.18 102.16 5.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.13 54.42 0.62 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.72 110.76 23.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.45 132.47 27.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 66.1 m -127.63 128.05 44.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.23 79.78 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.633 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.579 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.829 0.347 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 82.7 p -69.94 157.61 37.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.409 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 98.3 m -129.5 122.51 29.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.097 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -150.45 125.64 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.472 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 19.4 m -50.43 -60.95 2.49 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 9.7 t -131.45 -95.62 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.12 53.93 13.67 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.509 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.82 -168.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.649 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.95 -52.88 1.33 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.3 -81.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -129.97 126.94 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.17 148.79 25.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.343 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -121.26 138.82 54.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.874 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 69.6 m -155.53 141.33 18.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.505 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 93.5 p -156.69 148.82 23.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.736 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.22 177.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.45 153.17 24.5 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.3 -40.26 89.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 110.511 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 66.2 m -91.94 178.77 5.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.489 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.85 -177.6 6.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.39 119.7 7.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.622 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.88 139.33 53.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.53 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -161.68 0.1 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.51 -49.31 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.729 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.49 -100.02 1.38 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.55 110.67 19.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.16 171.59 7.95 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.723 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 71.2 m -125.46 120.91 32.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.869 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . 0.409 HG22 ' HD2' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -85.79 171.97 9.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.531 -179.262 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' D' ' 71' ' ' THR . 69.7 Cg_exo -42.69 170.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 123.203 2.602 . . . . 0.0 113.432 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.04 -158.78 0.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.98 91.73 0.01 OUTLIER Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -176.84 -41.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 110.784 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.89 -173.16 3.78 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -95.52 86.82 4.56 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.64 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . 0.411 ' OG1' HG22 ' E' ' 78' ' ' THR . 43.3 p -66.99 158.64 30.43 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.2 4.65 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.55 -80.08 1.41 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -54.39 174.25 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.951 0.405 . . . . 0.0 110.915 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.96 -37.51 3.25 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.96 131.0 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.621 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 44.2 t -117.21 122.6 44.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.541 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.78 103.35 6.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.773 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.73 174.43 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.416 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.22 138.07 23.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.956 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.66 -166.33 0.25 Allowed 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.672 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -165.19 169.52 15.95 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.227 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.48 118.21 22.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.107 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -131.36 101.99 5.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.928 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.33 54.36 0.62 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.67 110.67 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.38 132.45 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 65.7 m -127.57 127.97 44.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.414 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.39 79.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.565 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.79 0.329 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 82.9 p -69.94 157.47 37.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.386 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -129.26 122.42 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -150.06 126.7 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.632 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -52.6 -60.03 3.74 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.216 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -130.46 -95.01 0.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.722 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 50.59 49.37 40.16 Favored Glycine 0 C--N 1.343 0.931 0 C-N-CA 119.72 -1.229 . . . . 0.0 112.059 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.28 -168.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.377 0.608 . . . . 0.0 110.247 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.54 -52.82 1.28 Allowed Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -163.9 -83.99 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -129.21 127.29 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.314 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -103.86 148.5 26.07 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.967 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.03 138.87 53.96 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.857 0.361 . . . . 0.0 110.984 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 69.2 m -155.53 141.23 17.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.652 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 94.7 p -156.69 148.82 23.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.72 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.32 177.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.36 153.24 24.48 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.45 -40.18 90.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.798 0.332 . . . . 0.0 110.492 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.86 178.87 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.9 -177.53 6.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.681 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.24 119.19 6.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 92.0 m -126.53 139.25 53.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.88 -162.23 0.1 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -48.87 -50.32 35.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.669 0.271 . . . . 0.0 110.309 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.12 -100.16 1.34 Allowed Glycine 0 N--CA 1.463 0.466 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.59 110.17 18.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.7 0.286 . . . . 0.0 110.267 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -168.41 171.81 8.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.803 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 70.5 m -125.7 121.77 34.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.795 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.56 171.9 9.33 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.554 1.159 . . . . 0.0 110.162 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -43.12 171.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.501 1.963 0 C-N-CA 123.151 2.568 . . . . 0.0 113.286 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -100.83 -159.4 0.73 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.816 -1.083 . . . . 0.0 108.237 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.24 90.71 0.01 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -176.61 -40.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.623 0.249 . . . . 0.0 111.157 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.53 -173.25 3.41 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -94.97 86.01 4.52 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.158 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . 0.411 HG22 ' OG1' ' D' ' 78' ' ' THR . 44.7 p -66.59 158.5 29.67 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -157.66 4.34 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.86 -80.43 1.42 Allowed Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -54.11 174.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.669 0.271 . . . . 0.0 111.537 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.06 -38.02 3.17 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.705 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t 74.04 131.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.026 0.441 . . . . 0.0 110.307 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 43.9 t -117.8 121.88 41.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.407 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.07 102.34 6.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.609 0.719 . . . . 0.0 111.284 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.7 173.67 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.261 -0.899 . . . . 0.0 110.981 -177.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.24 138.01 23.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.835 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.47 -166.45 0.26 Allowed 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 121.872 0.844 . . . . 0.0 110.866 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p -164.13 171.01 15.64 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.837 -1.165 . . . . 0.0 111.458 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.87 117.69 21.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.598 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -130.28 100.59 5.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.261 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 109.11 53.99 0.59 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -96.11 110.64 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.57 0.224 . . . . 0.0 110.75 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.42 132.63 28.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.818 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 66.1 m -127.56 127.94 44.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.23 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.41 79.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.638 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.579 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.809 0.337 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 82.9 p -69.85 157.44 37.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -129.2 123.0 30.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -150.83 125.92 9.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.533 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 19.9 m -50.33 -61.54 2.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.059 0.457 . . . . 0.0 109.847 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -131.15 -95.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.17 53.87 13.99 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.467 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.68 -168.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.94 -53.08 1.31 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.23 -81.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.634 0.254 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -130.0 126.87 38.79 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 98.7 p -103.2 148.77 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.312 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.19 138.78 54.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.89 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 69.7 m -155.54 141.29 18.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.52 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 94.2 p -156.68 148.85 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.705 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.19 177.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.29 153.24 24.36 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.36 -40.28 90.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.475 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 66.5 m -91.87 178.92 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.514 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.94 -177.6 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.732 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.45 119.75 7.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.645 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.75 139.56 53.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.3 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.48 -161.57 0.11 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.42 -49.67 44.0 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.726 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.84 -100.04 1.35 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.52 110.95 20.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.27 171.73 7.74 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.934 -0.707 . . . . 0.0 111.764 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 70.8 m -125.49 120.68 31.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.949 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . 0.407 HG22 ' HD2' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -85.55 172.01 9.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.628 -179.367 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . 0.407 ' HD2' HG22 ' F' ' 71' ' ' THR . 67.8 Cg_exo -42.77 170.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 123.301 2.667 . . . . 0.0 113.346 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -101.04 -158.88 0.7 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.94 91.82 0.01 OUTLIER Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -176.85 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.715 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.95 -173.07 3.86 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -95.64 86.8 4.52 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.704 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . 0.41 HG22 ' OG1' ' E' ' 78' ' ' THR . 43.5 p -66.96 158.73 30.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.04 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.11 -158.23 4.56 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.69 -80.09 1.41 Allowed Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -54.5 173.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.947 0.403 . . . . 0.0 110.879 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.22 -37.37 3.28 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.85 130.89 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.699 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.19 122.69 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.86 103.3 6.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.706 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.64 174.67 10.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.448 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.39 137.98 23.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.908 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.52 -166.28 0.25 Allowed 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.746 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -165.4 169.5 15.63 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.305 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.57 118.12 22.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.157 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -130.99 102.14 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.668 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.17 54.36 0.62 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.68 110.7 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.641 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.48 132.47 27.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.755 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 66.2 m -127.58 128.03 44.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.436 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.38 79.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.656 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.579 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.78 0.324 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -69.91 157.38 37.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.34 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 96.1 m -129.15 122.77 30.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -150.66 125.8 9.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.481 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.49 -61.29 2.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 109.869 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -131.26 -95.56 0.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.13 53.87 13.85 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.452 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.81 -168.37 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.825 0.345 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.15 -52.98 1.3 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.22 -81.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 110.442 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -129.91 127.04 39.34 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -103.26 148.69 25.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.321 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.11 138.79 54.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 69.5 m -155.48 141.29 18.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.538 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -156.64 148.89 23.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.705 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.2 177.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.976 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.3 153.26 24.41 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.41 -40.13 89.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.517 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.94 178.86 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.511 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.9 -177.55 6.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.703 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.48 119.71 7.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.78 139.42 53.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.392 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -161.76 0.11 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.38 -49.48 44.38 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.705 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.66 -100.14 1.38 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.53 110.86 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.693 0.282 . . . . 0.0 110.242 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.63 7.84 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.782 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 71.2 m -125.51 120.72 31.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.869 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . 0.409 HG22 ' HD2' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -85.58 172.01 9.53 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.562 -179.266 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' G' ' 71' ' ' THR . 68.6 Cg_exo -42.8 170.8 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 123.322 2.682 . . . . 0.0 113.319 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -100.96 -158.88 0.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.82 91.75 0.01 OUTLIER Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -176.89 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.806 0.336 . . . . 0.0 110.804 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.93 -173.09 3.84 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.5 86.72 4.55 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.673 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . 0.41 ' OG1' HG22 ' H' ' 78' ' ' THR . 43.5 p -66.95 158.72 30.11 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.25 4.68 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.65 -80.04 1.41 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -54.53 174.12 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.22 -37.65 3.26 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 74.0 130.95 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.815 0.341 . . . . 0.0 110.639 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.26 122.57 44.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.74 103.27 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.67 174.62 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.115 0.483 . . . . 0.0 111.398 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.35 137.99 23.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.908 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.61 -166.27 0.25 Allowed 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.666 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -165.31 169.5 15.77 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.33 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.54 118.19 22.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.15 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -131.14 102.11 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.808 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.17 54.54 0.62 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.85 110.69 23.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.6 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -140.45 132.54 27.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.751 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 66.0 m -127.63 128.01 44.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.398 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.38 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.674 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.615 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.823 0.344 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -69.86 157.42 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.368 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 97.4 m -129.23 122.72 30.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -150.59 125.82 10.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.518 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.48 -61.25 2.3 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.562 -0.455 . . . . 0.0 109.858 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -131.3 -95.53 0.36 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.02 53.79 13.68 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.51 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.91 -168.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.947 0.403 . . . . 0.0 110.721 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.1 -52.93 1.31 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -164.28 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.607 0.241 . . . . 0.0 110.396 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -129.99 127.01 39.13 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.23 148.76 25.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.257 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -121.21 138.74 54.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 69.5 m -155.5 141.33 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.548 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -156.62 148.83 23.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.712 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.28 177.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.27 153.23 24.31 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.35 -40.28 90.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.496 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.8 178.81 5.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.88 -177.57 6.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.4 119.66 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.73 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 92.8 m -126.77 139.57 53.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.371 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.43 -161.52 0.1 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.67 -49.41 47.58 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.626 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.7 -100.17 1.38 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.48 110.93 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.3 171.65 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.717 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 70.9 m -125.48 120.84 32.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.834 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . 0.406 HG22 ' HD2' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -85.68 171.98 9.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.552 -179.328 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . 0.406 ' HD2' HG22 ' H' ' 71' ' ' THR . 69.0 Cg_exo -42.68 170.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 123.231 2.621 . . . . 0.0 113.394 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.03 -158.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.97 91.85 0.01 OUTLIER Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -176.85 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.683 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.1 -173.09 4.02 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.63 86.72 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.627 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . 0.41 HG22 ' OG1' ' G' ' 78' ' ' THR . 43.5 p -66.85 158.81 29.61 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.3 -158.23 4.75 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.57 -80.19 1.41 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -54.39 174.06 0.07 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.17 -37.5 3.27 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t 73.84 130.98 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.88 0.372 . . . . 0.0 110.643 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.28 122.63 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.547 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.83 103.35 6.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.678 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.75 174.51 10.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.073 0.463 . . . . 0.0 111.352 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -147.25 138.0 23.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.987 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.67 -166.41 0.25 Allowed 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.685 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -165.19 169.53 15.93 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.272 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.42 118.15 22.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.156 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -131.2 102.17 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.15 54.57 0.62 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.79 110.6 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.651 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.33 132.5 28.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 66.4 m -127.66 128.07 44.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.389 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.35 79.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.613 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.861 0.363 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -69.82 157.39 37.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.341 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 99.8 m -129.39 122.8 30.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.122 0.487 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -150.5 126.73 10.62 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.474 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 19.2 m -51.7 -61.41 2.27 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 8.8 t -130.9 -94.58 0.38 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.23 53.99 10.63 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.592 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.08 -167.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 0.0 110.697 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.73 -53.33 1.21 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -163.9 -81.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.684 0.278 . . . . 0.0 110.427 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 70.1 m -129.81 127.45 40.34 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.775 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -103.71 148.67 25.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.221 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -121.22 138.83 54.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m -155.51 141.32 18.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.489 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 94.4 p -156.66 148.83 23.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.635 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 54.17 177.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.915 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.22 153.16 24.11 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.42 -40.01 89.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -92.04 178.54 5.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.69 -177.59 6.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.4 119.73 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 92.8 m -126.61 139.71 52.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.46 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.67 -161.39 0.11 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.78 -49.49 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.525 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.91 -100.35 1.38 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.397 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.56 110.84 19.81 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.29 171.56 7.82 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.525 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -125.19 121.38 33.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.784 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . 0.404 HG22 ' HD2' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -85.99 171.72 9.9 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.439 -179.351 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . 0.404 ' HD2' HG22 ' I' ' 71' ' ' THR . 73.1 Cg_exo -43.22 171.52 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 123.14 2.56 . . . . 0.0 113.224 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.06 -158.56 0.68 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.0 91.96 0.01 OUTLIER Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -176.4 -43.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.91 0.386 . . . . 0.0 110.567 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.98 -172.78 5.28 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -95.91 86.53 4.36 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . 0.402 HG22 ' OG1' ' H' ' 78' ' ' THR . 44.1 p -66.53 159.22 27.78 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.63 -158.09 4.99 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.56 -79.64 1.4 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -55.05 173.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 111.043 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.38 -37.3 3.3 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.6 t 73.62 131.11 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.495 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.39 122.68 44.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.9 103.4 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.441 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.74 174.32 10.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.07 0.462 . . . . 0.0 111.267 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.05 137.91 23.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.938 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -174.88 -167.78 0.31 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.697 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -163.9 169.84 17.58 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.445 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.39 117.98 22.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.23 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -131.48 102.49 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.251 0.548 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 107.91 55.02 0.62 Allowed Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.181 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -96.73 110.64 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.676 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.59 132.52 27.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.811 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 66.3 m -127.57 127.99 44.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.402 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.33 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.623 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.528 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.731 0.3 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.76 156.97 23.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.984 0.421 . . . . 0.0 111.087 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -136.95 130.9 32.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.354 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -149.69 128.42 12.45 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.406 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.1 m -52.06 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.391 -0.523 . . . . 0.0 109.999 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.0 p -130.81 -98.38 0.33 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.183 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.43 53.78 6.74 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.66 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 51.32 -170.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.233 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.19 -54.61 1.09 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.18 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.853 0.359 . . . . 0.0 110.625 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.56 152.81 25.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.381 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -135.97 133.46 37.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.454 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.65 151.03 39.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.688 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.79 -162.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.566 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -73.23 170.38 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.71 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.71 19.13 11.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.68 -90.62 0.09 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.68 135.2 48.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.9 p -158.3 179.77 8.84 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.336 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -124.25 99.48 6.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.505 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -88.83 107.53 19.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.319 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.5 m -124.05 140.94 52.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.147 0.499 . . . . 0.0 111.248 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.8 -158.72 0.05 OUTLIER Glycine 0 CA--C 1.526 0.764 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -83.91 43.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.4 -108.71 0.21 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.8 p -134.45 125.05 26.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -147.88 164.45 33.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.216 0.531 . . . . 0.0 111.382 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -122.99 115.13 21.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.689 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.45 161.18 40.43 Favored Pre-proline 0 C--N 1.326 -0.418 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.074 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -28.62 105.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 124.214 3.276 . . . . 0.0 114.84 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -62.64 111.95 2.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.731 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.73 104.61 0.47 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 69.07 94.48 0.07 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.226 0.536 . . . . 0.0 111.263 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.24 -90.21 0.49 Allowed Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.216 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -100.55 149.74 23.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.9 0.381 . . . . 0.0 111.148 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.2 m -111.37 111.2 22.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.21 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.81 101.69 0.85 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.18 100.71 0.2 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -71.43 132.5 44.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.885 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.17 -45.04 0.75 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.18 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.838 0.351 . . . . 0.0 110.39 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.3 t -104.71 -62.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.224 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.8 91.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.76 139.68 25.3 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.3 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.5 p -141.03 147.18 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.328 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.23 -177.76 1.91 Allowed 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.057 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -144.51 160.32 41.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.668 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.6 t -138.44 134.11 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -146.78 90.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.975 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.24 60.44 0.2 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.701 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -97.6 104.85 16.91 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.82 141.38 38.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.109 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.4 130.37 21.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.52 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.7 t 54.77 72.93 0.43 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.545 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.746 0.308 . . . . 0.0 110.691 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.81 157.01 23.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.402 . . . . 0.0 111.205 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -136.94 130.93 32.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.417 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.7 128.37 12.41 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.759 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 31.7 m -52.29 -63.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.892 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.6 p -130.56 -98.35 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.09 55.62 5.63 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.41 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.46 -170.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.218 0.509 . . . . 0.0 110.548 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.26 -54.61 1.08 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.16 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 110.615 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 97.1 p -110.61 152.94 25.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.376 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -136.0 133.37 37.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.473 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.68 151.0 39.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.83 -162.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.481 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.21 170.62 14.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.676 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.97 19.15 11.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.78 -90.39 0.09 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.78 135.2 48.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 89.5 p -158.25 -179.79 8.43 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.333 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.62 99.48 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.471 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.93 107.58 19.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -123.85 141.12 52.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.18 -158.46 0.05 OUTLIER Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.07 44.59 1.02 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 122.804 -0.233 . . . . 0.0 111.427 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.7 -108.62 0.18 Allowed Glycine 0 C--N 1.337 0.597 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.41 125.08 26.78 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.84 164.85 32.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.379 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -123.3 115.16 21.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.681 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.48 161.04 40.73 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.011 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -28.6 103.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 124.482 3.455 . . . . 0.0 115.054 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -60.28 112.1 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.323 0.389 . . . . 0.0 110.142 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.51 104.84 0.45 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.33 94.36 0.07 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 111.184 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.16 -90.17 0.49 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -100.35 149.87 23.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.873 0.368 . . . . 0.0 111.079 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 45.6 m -111.25 111.05 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.272 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.57 101.69 0.86 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.2 100.92 0.2 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.47 132.62 45.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.017 0.436 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.17 -45.0 0.75 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.45 132.18 0.02 OUTLIER 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.709 0.29 . . . . 0.0 110.354 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.78 -63.03 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.143 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 50.0 91.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.7 139.75 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.335 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 90.8 p -140.96 147.22 38.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.412 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.2 -177.71 1.91 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.123 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 66.8 m -144.53 160.29 41.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.666 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.4 134.0 33.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -147.06 90.8 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.973 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.09 60.91 0.2 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.684 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.58 104.74 16.8 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.318 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.83 141.62 38.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.116 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.74 130.35 21.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.462 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 40.8 t 54.87 72.94 0.44 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.565 179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.763 0.316 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 85.0 p -82.88 156.97 23.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.0 0.429 . . . . 0.0 111.2 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -136.94 130.96 32.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.406 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.72 128.45 12.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.762 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 31.9 m -52.27 -63.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.85 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 35.5 p -130.5 -98.26 0.34 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.15 55.44 5.75 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.464 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.69 -170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.489 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.29 -54.63 1.08 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.25 -76.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.626 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 97.5 p -110.59 152.94 25.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.4 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -136.06 133.42 37.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.412 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.7 150.93 39.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.738 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.73 -162.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.505 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.21 170.69 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.676 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -96.03 19.21 11.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.79 -90.47 0.09 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -129.82 135.18 48.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.19 -179.81 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.363 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.6 99.41 6.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.478 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -88.8 107.44 18.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.41 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -123.72 141.03 52.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.214 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.26 -158.41 0.05 OUTLIER Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.06 44.74 1.03 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.358 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.59 -108.59 0.18 Allowed Glycine 0 C--N 1.336 0.578 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -134.46 125.13 26.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.77 164.89 32.19 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.334 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -123.28 115.03 21.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.65 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 160.95 41.07 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.101 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -28.5 102.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 124.503 3.469 . . . . 0.0 115.15 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.05 112.27 1.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.484 0.49 . . . . 0.0 110.162 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.38 104.87 0.44 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.24 94.42 0.07 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.948 0.404 . . . . 0.0 111.182 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.12 -90.21 0.49 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 94.3 p -100.3 149.82 23.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.91 0.386 . . . . 0.0 111.104 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 48.3 m -111.27 111.17 22.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.198 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.57 101.76 0.87 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.17 100.87 0.2 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -71.52 132.71 45.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.133 0.492 . . . . 0.0 110.828 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.09 -44.89 0.76 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.32 132.17 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.806 0.336 . . . . 0.0 110.395 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.75 -62.98 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.206 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.98 91.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.778 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.72 139.82 25.45 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 91.0 p -141.01 147.11 38.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.42 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.12 -177.77 1.95 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.107 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 67.0 m -144.43 160.31 41.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.648 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.28 134.01 33.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.51 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -147.21 90.92 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.95 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.08 60.93 0.2 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.708 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.6 104.69 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.302 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.78 141.64 38.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.076 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.67 130.37 21.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.87 72.88 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.599 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.594 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.775 0.321 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.82 157.06 23.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -136.99 130.89 32.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.442 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.67 128.3 12.38 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.719 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 31.8 m -52.18 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.899 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 35.7 p -130.54 -98.23 0.33 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.13 55.43 5.74 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.439 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.55 -170.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.534 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.15 -54.6 1.09 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.26 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.627 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 97.0 p -110.52 152.9 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.377 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -136.01 133.47 37.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.475 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.78 150.89 39.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.764 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 -162.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.459 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -73.12 170.62 14.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.643 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.96 19.12 12.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.8 -90.41 0.09 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.85 135.13 48.03 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.21 -179.81 8.46 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.283 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -124.61 99.42 6.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.479 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.48 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.36 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.5 m -123.7 141.09 52.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.16 -158.48 0.05 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.05 44.85 1.04 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 122.755 -0.262 . . . . 0.0 111.308 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.57 -108.57 0.18 Allowed Glycine 0 C--N 1.336 0.554 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -134.55 125.16 26.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.83 164.92 32.17 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.37 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -123.28 115.1 21.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.677 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.54 161.07 40.47 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.003 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -28.58 102.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 124.511 3.474 . . . . 0.0 115.13 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.03 112.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.364 0.415 . . . . 0.0 110.16 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.27 104.95 0.43 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.25 94.3 0.07 Allowed 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.964 0.412 . . . . 0.0 111.218 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.94 -90.23 0.47 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 93.8 p -100.41 149.88 23.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.919 0.39 . . . . 0.0 111.05 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 45.7 m -111.14 111.09 21.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.324 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.56 101.72 0.86 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.18 100.87 0.2 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.43 132.61 45.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.129 0.49 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.18 -44.94 0.75 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.41 132.19 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.735 0.302 . . . . 0.0 110.37 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 17.4 t -104.78 -62.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.218 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.9 91.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.79 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 28.6 t -146.65 139.74 25.48 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.381 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 91.7 p -141.02 147.09 38.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.13 -177.81 1.95 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.947 0.403 . . . . 0.0 111.084 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 66.9 m -144.4 160.35 41.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.641 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.25 133.99 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -147.13 90.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.012 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.02 60.93 0.2 Allowed Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.752 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.52 104.61 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.279 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.78 141.66 38.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.72 130.29 21.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.495 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.87 72.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.571 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.698 0.285 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -82.82 157.05 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.065 0.459 . . . . 0.0 111.13 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -136.93 130.89 32.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.35 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -149.84 129.21 12.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.765 0.793 . . . . 0.0 110.856 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 23.7 m -55.19 -60.87 2.79 Favored 'General case' 0 CA--C 1.52 -0.202 0 O-C-N 121.195 -0.941 . . . . 0.0 110.133 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -130.57 -97.53 0.34 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.837 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.28 49.75 18.71 Favored Glycine 0 C--N 1.348 1.235 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.257 175.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 52.32 -170.42 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 117.419 0.61 . . . . 0.0 110.112 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.02 -54.13 1.06 Allowed Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -161.83 -79.41 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.992 0.425 . . . . 0.0 109.86 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 95.1 p -109.81 152.52 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.802 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -135.94 133.4 37.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.418 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.69 150.95 39.52 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.905 0.383 . . . . 0.0 110.724 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.7 -162.76 0.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.16 170.59 14.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.631 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.87 19.13 11.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.894 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.81 -90.44 0.09 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.82 135.24 48.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.25 -179.88 8.52 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.344 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.57 99.48 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.455 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.49 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.353 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -123.68 140.76 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.969 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.51 -161.7 0.05 OUTLIER Glycine 0 CA--C 1.526 0.753 0 O-C-N 124.284 0.99 . . . . 0.0 111.515 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -82.88 45.92 1.05 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.985 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.02 -108.61 0.17 Allowed Glycine 0 N--CA 1.472 1.034 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.91 124.69 25.37 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.934 0.873 . . . . 0.0 109.554 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.94 164.56 33.38 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.193 -0.942 . . . . 0.0 111.139 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 66.6 m -123.48 116.4 23.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.4 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 161.21 38.87 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.023 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' F' ' 73' ' ' GLN . 94.3 Cg_exo -31.89 107.94 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 123.457 2.772 . . . . 0.0 114.153 -176.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -63.04 114.17 3.54 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.527 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.79 103.79 0.39 Allowed Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 71.15 91.91 0.09 Allowed 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.61 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.14 -89.81 0.43 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 94.4 p -100.58 149.53 23.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.957 0.408 . . . . 0.0 111.06 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 41.6 m -110.75 110.45 21.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.541 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.39 101.77 0.87 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.1 100.36 0.2 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -71.26 132.13 44.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.08 0.467 . . . . 0.0 110.927 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.54 -43.4 0.8 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 169.39 132.57 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.246 0.546 . . . . 0.0 110.115 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 18.8 t -105.07 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.71 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 50.04 91.17 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.765 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.51 139.67 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.278 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -140.99 147.1 38.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.446 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.24 -177.74 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.002 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 67.1 m -144.13 160.68 40.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.5 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 2.6 t -138.32 133.9 33.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.881 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -146.46 89.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.429 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.77 60.56 0.19 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.681 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -96.23 104.56 16.53 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.191 -0.203 . . . . 0.0 110.646 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.79 141.41 38.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.046 0.45 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.98 130.43 22.48 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.469 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.98 72.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.666 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.575 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.794 0.33 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.85 156.96 23.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -137.01 131.08 32.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.426 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.82 128.45 12.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.765 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m -52.19 -63.39 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.896 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 35.3 p -130.56 -98.28 0.33 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.24 55.45 5.82 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.475 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.57 -170.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.48 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.35 -54.63 1.07 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.21 -76.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.648 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 97.8 p -110.5 152.82 25.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.407 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -135.95 133.45 37.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.473 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.79 150.9 39.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.69 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 -162.74 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.509 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.13 170.72 14.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.709 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -96.03 19.18 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.886 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.79 -90.43 0.09 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.82 135.17 48.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 89.4 p -158.15 -179.76 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.27 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.66 99.56 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.87 107.46 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.355 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -123.72 141.21 52.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -158.34 0.05 OUTLIER Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.13 44.92 1.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.377 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.54 -108.52 0.18 Allowed Glycine 0 C--N 1.335 0.506 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -134.6 125.27 26.87 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.91 164.86 32.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.371 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -123.27 115.13 21.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.738 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.57 161.02 40.55 Favored Pre-proline 0 C--N 1.327 -0.376 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.042 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -28.44 102.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 124.537 3.491 . . . . 0.0 115.127 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . 0.407 ' HA ' ' HA ' ' E' ' 72' ' ' PRO . 9.6 mp0 -60.12 112.27 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.395 0.434 . . . . 0.0 110.178 178.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.22 105.06 0.42 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.25 94.44 0.07 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.968 0.413 . . . . 0.0 111.138 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.11 -90.25 0.48 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 94.1 p -100.35 149.89 23.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.081 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 47.6 m -111.25 111.11 21.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.52 101.65 0.86 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.22 100.94 0.2 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.5 132.66 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.987 0.423 . . . . 0.0 110.921 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.1 -44.78 0.76 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.13 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.693 0.282 . . . . 0.0 110.396 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -104.77 -62.84 1.28 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.189 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 49.83 91.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.68 139.8 25.49 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.368 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -141.03 147.05 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.473 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.16 -177.84 1.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.032 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 66.8 m -144.4 160.35 41.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.589 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.31 134.0 33.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -147.11 90.9 1.93 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 122.98 60.9 0.2 Allowed Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.766 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.58 104.72 16.77 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.293 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.85 141.62 38.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.877 0.37 . . . . 0.0 111.024 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.66 130.31 21.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.468 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.86 72.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.534 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.63 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.73 0.3 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.84 156.99 23.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.215 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 93.2 m -136.93 130.91 32.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.416 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.66 128.41 12.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.715 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 31.5 m -52.26 -63.32 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.889 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 35.4 p -130.55 -98.16 0.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.05 55.57 5.62 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.476 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.55 -170.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.588 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.25 -54.7 1.08 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -162.17 -76.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.311 . . . . 0.0 110.671 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 97.3 p -110.52 152.89 25.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.358 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 43.7 t -135.99 133.45 37.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.482 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.69 150.97 39.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.74 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.8 -162.74 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.509 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.16 170.66 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.678 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -96.0 19.2 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.821 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.82 -90.52 0.09 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.75 135.25 48.23 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 89.7 p -158.21 -179.81 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.395 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.66 99.41 6.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.484 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.83 107.48 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.392 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -123.7 141.21 52.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.145 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.29 -158.38 0.05 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.18 44.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.418 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.51 -108.53 0.18 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -134.52 125.01 26.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.69 164.96 31.91 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.362 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -123.33 115.1 21.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.675 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.46 160.97 41.0 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.08 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -28.47 102.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.2 0 C-N-CA 124.521 3.481 . . . . 0.0 115.156 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -59.97 112.19 1.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.417 0.448 . . . . 0.0 110.201 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.3 104.96 0.43 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.26 94.47 0.07 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.933 0.396 . . . . 0.0 111.151 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.1 -90.25 0.48 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 93.8 p -100.39 149.81 23.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 0.0 111.054 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 47.0 m -111.19 111.11 21.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.313 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.53 101.74 0.87 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.22 100.84 0.2 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -71.4 132.64 45.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.049 0.452 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.13 -44.93 0.75 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.37 132.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.795 0.331 . . . . 0.0 110.43 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 17.7 t -104.83 -62.83 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.196 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.92 91.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.72 139.74 25.39 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.311 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -140.99 147.19 38.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.448 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.18 -177.77 1.92 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.047 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 67.1 m -144.49 160.37 41.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.29 133.89 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -147.08 90.86 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.049 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.02 60.93 0.2 Allowed Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.778 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.56 104.75 16.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.276 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.83 141.67 38.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.881 0.372 . . . . 0.0 111.046 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.67 130.35 21.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 40.8 t 54.83 72.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.572 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.562 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.739 0.304 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.82 156.98 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.932 0.396 . . . . 0.0 111.284 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 93.0 m -136.95 130.95 32.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.402 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -149.72 128.41 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.746 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 31.3 m -52.34 -63.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.391 -0.523 . . . . 0.0 109.836 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 35.4 p -130.53 -98.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.15 55.44 5.75 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 121.254 -0.498 . . . . 0.0 112.48 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.58 -170.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.576 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.36 -54.62 1.07 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -162.18 -76.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.59 152.87 25.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.337 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -135.92 133.49 37.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.76 150.99 39.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.74 -162.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.469 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.12 170.61 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.698 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.98 19.28 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.895 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.88 -90.36 0.09 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -129.88 135.17 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 89.3 p -158.2 -179.75 8.41 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.339 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.62 99.38 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.476 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.53 19.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.332 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.1 m -123.79 141.22 52.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.25 -158.34 0.05 OUTLIER Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.13 44.9 1.05 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.441 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.54 -108.69 0.18 Allowed Glycine 0 C--N 1.336 0.542 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.47 124.98 26.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.68 165.01 31.76 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.274 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -123.34 115.02 20.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.717 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 160.99 40.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.068 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -28.6 102.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 124.516 3.477 . . . . 0.0 115.108 -177.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -59.93 112.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.259 0.349 . . . . 0.0 110.262 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.41 104.91 0.44 Allowed Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.25 94.61 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.946 0.403 . . . . 0.0 111.08 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.22 -90.3 0.49 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 93.9 p -100.27 149.98 23.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.947 0.403 . . . . 0.0 111.04 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 47.6 m -111.32 111.07 21.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.245 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.49 101.81 0.87 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.13 100.92 0.2 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -71.54 132.65 44.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.105 0.479 . . . . 0.0 110.966 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.18 -44.87 0.75 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.2 0.02 OUTLIER 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.743 0.306 . . . . 0.0 110.418 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -104.81 -63.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.155 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 50.0 91.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.71 139.74 25.4 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.366 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 91.1 p -140.93 147.15 38.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.375 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.21 -177.83 1.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.116 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 66.4 m -144.4 160.33 41.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.74 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.27 133.89 33.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -147.11 90.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.003 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.05 61.01 0.2 Allowed Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.043 -0.599 . . . . 0.0 111.765 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.55 104.73 16.78 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.277 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.83 141.73 38.68 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.884 0.373 . . . . 0.0 111.041 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.74 130.45 21.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.4 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.74 72.98 0.43 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.58 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.707 0.289 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.64 157.17 23.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.3 m -137.24 130.97 31.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.482 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -149.59 129.44 13.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.689 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 30.4 m -53.61 -63.27 1.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -130.66 -97.86 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 43.96 55.4 5.62 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.249 -0.501 . . . . 0.0 112.412 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.65 -170.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.181 0.49 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.34 -54.77 1.07 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.19 -76.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 0.0 110.647 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.54 152.87 25.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.362 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -136.0 133.53 37.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.445 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.75 150.94 39.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.702 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.69 -162.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.525 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 59.7 p -73.21 170.66 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.63 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.96 19.15 11.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.77 -90.41 0.09 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.89 135.31 48.22 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 89.4 p -158.34 -179.76 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.223 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.71 99.56 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.94 107.53 19.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.38 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.1 m -123.53 141.47 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.165 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.56 -158.32 0.06 OUTLIER Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.21 45.9 1.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 122.816 -0.226 . . . . 0.0 111.163 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.83 -108.54 0.16 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 19.5 p -134.41 125.2 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -148.02 165.0 32.07 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.273 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m -123.48 115.03 20.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.714 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.19 161.06 41.48 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -28.94 103.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 124.543 3.495 . . . . 0.0 114.791 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -60.02 112.77 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.259 0.349 . . . . 0.0 110.217 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.23 105.13 0.42 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.27 94.27 0.07 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.045 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.74 -89.86 0.47 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 94.4 p -100.43 149.79 23.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 111.027 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 47.9 m -110.9 110.97 21.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.38 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.36 101.81 0.88 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.21 101.01 0.2 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -71.43 132.9 45.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.09 0.471 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.07 -44.67 0.77 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.25 132.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.737 0.303 . . . . 0.0 110.445 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.8 -62.94 1.27 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.163 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.86 91.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.764 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 28.7 t -146.66 140.05 25.7 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.671 -0.411 . . . . 0.0 111.267 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 91.7 p -141.29 146.9 37.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.342 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.14 -177.95 1.98 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.025 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 67.0 m -144.27 160.2 41.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.662 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -137.95 133.75 34.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -147.3 91.5 1.99 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.072 0.463 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 122.68 61.34 0.21 Allowed Glycine 0 CA--C 1.527 0.804 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.727 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -97.44 104.52 16.55 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.355 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.89 141.69 38.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.094 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.71 130.29 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 41.0 t 54.94 72.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.628 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.473 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.763 0.316 . . . . 0.0 110.72 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -66.74 136.8 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.44 HG23 ' O ' ' B' ' 45' ' ' THR . 42.3 m -123.29 136.56 54.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.305 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.69 163.87 27.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.446 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.1 m -127.31 -51.8 1.4 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.639 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.5 m -136.1 157.41 46.89 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.94 0.4 . . . . 0.0 111.586 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.57 72.76 1.07 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 121.148 -0.548 . . . . 0.0 112.141 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 41.31 81.71 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.518 0.187 . . . . 0.0 111.223 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.05 89.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.21 83.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.0 110.495 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.6 t -130.44 128.2 40.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.861 0.363 . . . . 0.0 110.916 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.9 m -102.28 146.06 28.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.324 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -121.03 121.43 37.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.488 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.3 p -152.18 25.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.1 t -60.34 132.43 53.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -80.75 -27.07 36.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.42 161.4 54.35 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.9 -173.82 2.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.601 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m 57.48 39.68 27.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -101.33 99.6 9.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -114.12 121.26 43.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.558 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.2 m -113.72 123.23 49.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.564 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.88 10.39 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.3 -45.43 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.022 0.439 . . . . 0.0 110.478 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.53 -135.92 13.13 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.472 ' OG1' HG22 ' B' ' 68' ' ' THR . 59.6 p -121.67 141.39 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 110.489 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.29 163.82 32.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.762 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -136.04 121.24 19.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.452 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.409 ' C ' ' OG1' ' B' ' 71' ' ' THR . 29.9 p -73.24 164.55 60.15 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.415 ' N ' ' OG1' ' B' ' 71' ' ' THR . 42.3 Cg_endo -90.13 106.92 0.36 Allowed 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 123.042 2.495 . . . . 0.0 113.708 -176.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -56.49 113.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.848 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.67 101.11 2.59 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.575 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.462 ' CE2' HG23 ' A' ' 78' ' ' THR . 0.1 OUTLIER 66.61 69.3 0.42 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.563 0.697 . . . . 0.0 111.41 179.227 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.51 -98.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.6 t -99.51 120.6 39.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.462 HG23 ' CE2' ' A' ' 75' ' ' TYR . 16.9 m -84.91 123.5 30.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.246 0.546 . . . . 0.0 111.031 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.92 101.3 0.25 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.73 100.54 0.43 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -60.92 -165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.593 0.235 . . . . 0.0 110.756 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.78 -47.71 2.76 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.22 131.04 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.75 0.31 . . . . 0.0 110.44 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -106.71 -65.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.751 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.35 104.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.608 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.9 122.39 34.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.7 m -136.09 116.98 14.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.353 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.06 -171.63 0.45 Allowed 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.867 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.0 p -171.09 163.98 7.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.541 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.45 135.53 5.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.582 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -48.21 -78.77 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.941 0.4 . . . . 0.0 111.703 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.85 79.36 0.06 OUTLIER Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.655 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.61 173.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.724 0.297 . . . . 0.0 110.64 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -149.67 160.03 43.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.56 117.61 20.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.39 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.1 t 56.39 55.18 6.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.634 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.585 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.772 0.32 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.6 m -66.78 136.81 56.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . 0.445 HG23 ' O ' ' C' ' 45' ' ' THR . 41.3 m -123.13 136.74 54.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.353 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.59 163.33 28.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.635 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.28 -51.87 1.4 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.649 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.4 m -135.9 157.98 45.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.102 0.477 . . . . 0.0 111.593 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.71 74.48 0.91 Allowed Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.917 -0.658 . . . . 0.0 111.997 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.6 82.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.625 0.25 . . . . 0.0 111.42 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.19 89.37 0.05 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 65.31 82.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.537 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.46 127.77 39.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.11 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 70.6 m -101.86 146.19 28.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.309 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.01 121.42 37.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.497 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 80.2 p -152.21 25.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -60.32 132.43 53.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.569 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -80.76 -27.17 36.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.5 161.36 54.35 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.78 -173.7 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.679 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.2 m 57.36 39.68 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.735 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.34 99.73 10.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.16 121.17 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.654 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 85.9 m -113.7 123.33 49.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.616 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.03 130.75 10.34 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.71 -44.8 7.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 0.0 110.493 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.1 -136.22 13.34 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.473 ' OG1' HG22 ' C' ' 68' ' ' THR . 56.6 p -121.45 141.45 51.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.853 0.359 . . . . 0.0 110.53 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.24 164.22 31.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.699 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 29.8 t -136.29 120.91 18.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.353 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . 0.425 ' C ' ' OG1' ' C' ' 71' ' ' THR . 30.1 p -73.61 165.25 54.7 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.886 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . 0.42 ' N ' ' OG1' ' C' ' 71' ' ' THR . 41.4 Cg_endo -90.66 104.49 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 123.319 2.679 . . . . 0.0 114.451 -175.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.98 113.12 1.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.011 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.89 101.35 2.62 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.731 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.464 ' CE2' HG23 ' B' ' 78' ' ' THR . 0.1 OUTLIER 66.76 69.4 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.257 0.551 . . . . 0.0 111.179 179.235 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.41 -98.57 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.48 120.4 39.57 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.464 HG23 ' CE2' ' B' ' 75' ' ' TYR . 17.1 m -83.99 123.93 30.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.936 0.398 . . . . 0.0 111.036 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.34 101.2 0.25 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.67 100.74 0.44 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -61.04 -166.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.731 0.3 . . . . 0.0 110.719 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.92 -47.42 2.71 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.17 131.1 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.68 0.276 . . . . 0.0 110.46 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 67.9 m -106.69 -65.17 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.763 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 19.8 tm0? 65.3 104.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.614 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.88 122.3 34.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 70.7 m -135.91 116.94 14.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.92 -171.56 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.917 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -171.19 163.93 7.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.587 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.38 135.51 5.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.725 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -48.35 -79.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.286 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 79.22 0.06 OUTLIER Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.546 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.56 173.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.715 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.62 160.03 43.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.927 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.58 117.65 20.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.426 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.42 55.1 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.696 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.676 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 0.0 110.697 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -66.74 136.75 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . 0.446 HG23 ' O ' ' D' ' 45' ' ' THR . 41.7 m -123.15 136.74 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.257 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.6 163.43 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.768 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 54.6 m -127.46 -51.79 1.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.703 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 34.2 m -135.95 157.88 45.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.082 0.468 . . . . 0.0 111.617 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.79 74.41 0.92 Allowed Glycine 0 C--O 1.225 -0.437 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.035 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.71 82.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.507 0.194 . . . . 0.0 111.487 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.28 89.38 0.05 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 65.39 82.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.562 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 42.2 t -130.41 127.71 39.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -101.8 146.24 28.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.347 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.11 121.43 37.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.479 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 80.2 p -152.16 25.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.603 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -60.32 132.45 53.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.8 -27.14 36.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.42 161.27 54.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.72 -173.69 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.714 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m 57.38 39.57 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.25 99.68 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.544 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -114.14 121.15 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.664 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 86.2 m -113.61 123.3 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.626 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.95 130.65 10.31 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.69 -44.79 7.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.341 . . . . 0.0 110.542 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.15 -136.28 13.38 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.474 ' OG1' HG22 ' D' ' 68' ' ' THR . 55.9 p -121.46 141.59 50.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.85 0.357 . . . . 0.0 110.54 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -144.32 164.22 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.665 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -136.41 120.86 18.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.252 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.426 ' C ' ' OG1' ' D' ' 71' ' ' THR . 30.2 p -73.58 165.42 53.21 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.902 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . 0.421 ' N ' ' OG1' ' D' ' 71' ' ' THR . 41.2 Cg_endo -90.79 104.27 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 123.27 2.647 . . . . 0.0 114.518 -175.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.74 113.1 1.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.036 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.97 101.54 2.64 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.669 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . 0.465 ' CE2' HG23 ' C' ' 78' ' ' THR . 0.1 OUTLIER 66.71 69.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.252 0.548 . . . . 0.0 111.129 179.182 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.44 -98.53 0.01 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -99.5 120.5 39.73 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.465 HG23 ' CE2' ' C' ' 75' ' ' TYR . 17.4 m -84.09 124.09 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.965 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.44 101.15 0.24 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.75 100.76 0.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.96 -166.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.737 0.303 . . . . 0.0 110.773 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.93 -47.44 2.71 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.23 131.23 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.762 0.315 . . . . 0.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 67.0 m -106.73 -65.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.706 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.32 104.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.698 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 8.3 t -126.84 122.34 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.939 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -135.9 116.85 14.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.418 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.88 -171.55 0.46 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.915 -179.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -171.14 163.86 7.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.61 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.33 135.62 6.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.745 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -48.42 -79.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.39 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.72 79.2 0.06 OUTLIER Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.515 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.68 173.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.647 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -149.59 160.09 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.65 117.53 20.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.5 55.08 6.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.655 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.677 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.775 0.322 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 67.2 m -66.74 136.87 56.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . 0.452 HG23 ' O ' ' E' ' 45' ' ' THR . 41.1 m -123.25 136.81 54.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.312 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.61 163.37 28.23 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.702 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 55.1 m -127.48 -51.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.488 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 34.0 m -135.72 158.02 45.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 111.6 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.64 74.48 0.91 Allowed Glycine 0 C--O 1.224 -0.505 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.979 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 39.67 82.14 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.571 0.224 . . . . 0.0 111.418 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.34 89.45 0.06 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.37 82.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.509 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.46 127.64 39.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.124 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 70.2 m -101.74 146.22 28.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.322 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.04 121.41 37.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.18 25.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.594 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.23 132.42 53.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.562 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.81 -27.07 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.57 161.34 54.36 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.8 -173.68 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.635 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m 57.42 39.6 28.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.764 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -101.3 99.67 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.463 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -114.15 121.21 43.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.673 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -113.72 123.24 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.708 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.68 10.32 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.66 -44.8 7.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 110.527 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.11 -136.23 13.35 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . 0.474 HG22 ' OG1' ' C' ' 68' ' ' THR . 56.3 p -121.54 141.58 50.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.955 0.407 . . . . 0.0 110.458 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.33 164.14 31.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.628 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.23 120.84 18.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.289 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . 0.428 ' C ' ' OG1' ' E' ' 71' ' ' THR . 30.1 p -73.61 165.42 53.2 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.916 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . 0.424 ' N ' ' OG1' ' E' ' 71' ' ' THR . 41.0 Cg_endo -90.78 104.15 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 123.327 2.685 . . . . 0.0 114.649 -175.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.67 113.06 1.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.127 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.92 101.43 2.63 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.731 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . 0.464 ' CE2' HG23 ' D' ' 78' ' ' THR . 0.1 OUTLIER 66.81 69.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.227 0.537 . . . . 0.0 111.177 179.213 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.37 -98.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 30.3 t -99.44 120.47 39.66 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . 0.464 HG23 ' CE2' ' D' ' 75' ' ' TYR . 16.9 m -83.79 123.94 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.174 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.52 101.23 0.25 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.63 100.84 0.44 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -61.14 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.733 0.301 . . . . 0.0 110.72 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.96 -47.46 2.7 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.21 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.68 0.276 . . . . 0.0 110.512 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 67.3 m -106.66 -65.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.684 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.38 104.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.614 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.92 122.39 34.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 70.9 m -135.95 116.97 14.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.342 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.02 -171.6 0.45 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.926 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -171.11 163.84 7.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.586 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.32 135.63 6.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.744 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -48.5 -79.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.64 79.21 0.06 OUTLIER Glycine 0 CA--C 1.525 0.704 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.509 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.61 173.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 110.708 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.6 160.07 43.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.62 117.66 20.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.44 55.07 6.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.7 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.184 0 CA-C-O 120.786 0.327 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 67.5 m -66.85 136.9 56.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . 0.452 ' O ' HG23 ' D' ' 45' ' ' THR . 40.6 m -123.31 136.8 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.358 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.34 163.02 28.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.846 0.355 . . . . 0.0 110.686 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 50.8 m -128.06 -49.32 1.33 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 119.024 -1.071 . . . . 0.0 112.89 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 41.7 m -131.52 156.53 45.54 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.9 70.54 1.31 Allowed Glycine 0 C--O 1.223 -0.588 0 C-N-CA 119.25 -1.452 . . . . 0.0 112.284 175.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 40.25 82.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.857 0.329 . . . . 0.0 111.049 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.21 87.85 0.05 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 65.6 83.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 110.633 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.99 127.63 38.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 71.1 m -101.88 146.63 27.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.996 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.33 121.5 37.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.627 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.2 25.56 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -60.31 132.44 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.597 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.76 -27.06 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.606 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.55 161.3 54.34 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.73 -173.78 2.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.639 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m 57.47 39.66 27.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.724 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.3 99.36 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.594 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -113.79 120.96 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.735 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.64 123.03 48.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.643 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.38 130.51 10.26 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.56 -45.56 7.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.74 0.305 . . . . 0.0 110.267 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.62 -135.88 13.1 Favored Glycine 0 N--CA 1.469 0.843 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . 0.473 HG22 ' OG1' ' D' ' 68' ' ' THR . 56.5 p -121.93 141.06 51.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.737 0.303 . . . . 0.0 110.497 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.0 164.25 31.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.693 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -136.34 121.66 19.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.092 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . 0.429 ' C ' ' OG1' ' F' ' 71' ' ' THR . 30.4 p -73.94 165.45 53.19 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.915 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . 0.421 ' N ' ' OG1' ' F' ' 71' ' ' THR . 45.0 Cg_endo -91.6 108.19 0.27 Allowed 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.39 2.06 . . . . 0.0 113.48 -175.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -57.41 114.44 2.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.557 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.77 100.88 2.58 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.813 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . 0.47 ' CE2' HG23 ' E' ' 78' ' ' THR . 0.1 OUTLIER 68.2 67.45 0.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.887 0.375 . . . . 0.0 111.516 178.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.35 -99.32 0.01 OUTLIER Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 30.1 t -99.07 120.74 39.97 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . 0.47 HG23 ' CE2' ' E' ' 75' ' ' TYR . 16.4 m -84.06 123.43 30.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 111.081 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.0 101.48 0.26 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.62 100.55 0.43 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.91 -164.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.795 0.331 . . . . 0.0 110.765 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.85 -44.74 3.01 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 169.18 131.43 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.962 0.411 . . . . 0.0 110.238 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 67.8 m -106.82 -65.17 1.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.682 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? 65.42 104.02 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.734 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.53 122.34 34.88 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.771 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -135.97 117.0 14.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.28 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.04 -171.82 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.888 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 86.4 p -170.16 164.58 9.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.531 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.65 135.97 5.97 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.83 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -49.6 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.533 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.69 76.87 0.07 OUTLIER Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.048 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -49.55 173.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 0.0 110.749 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.43 160.08 43.74 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.49 117.44 20.51 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 16.5 t 56.35 55.33 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.811 0.695 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 82.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.655 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.787 0.327 . . . . 0.0 110.745 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 67.5 m -66.82 136.82 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . 0.445 HG23 ' O ' ' G' ' 45' ' ' THR . 41.9 m -123.18 136.86 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.291 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.64 163.36 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.754 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.39 -51.87 1.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.489 -0.485 . . . . 0.0 111.646 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 33.9 m -135.83 158.01 45.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.131 0.491 . . . . 0.0 111.636 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.65 74.64 0.9 Allowed Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.964 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.4 82.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.656 0.265 . . . . 0.0 111.496 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.28 89.42 0.05 OUTLIER Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 65.45 82.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 0.0 110.628 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.36 127.62 39.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.141 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -101.74 146.24 28.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.332 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.12 121.39 37.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.432 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 80.0 p -152.21 25.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -60.29 132.45 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.579 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.77 -27.13 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.6 161.25 54.34 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.65 -173.72 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m 57.47 39.6 27.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.33 99.71 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.12 121.2 43.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -113.67 123.31 49.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.641 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.02 130.72 10.33 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.69 -44.78 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.04 -136.36 13.43 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . 0.471 HG22 ' OG1' ' E' ' 68' ' ' THR . 57.3 p -121.38 141.55 50.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.831 0.348 . . . . 0.0 110.61 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -144.29 164.11 31.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.656 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.29 120.89 18.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.306 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . 0.429 ' OG1' ' C ' ' E' ' 71' ' ' THR . 30.3 p -73.58 165.4 53.41 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . 0.422 ' N ' ' OG1' ' G' ' 71' ' ' THR . 41.0 Cg_endo -90.74 104.22 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 123.268 2.646 . . . . 0.0 114.63 -175.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.59 112.98 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.049 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.96 101.41 2.63 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.725 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' F' ' 78' ' ' THR . 0.1 OUTLIER 66.88 69.45 0.4 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.246 0.546 . . . . 0.0 111.042 179.174 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.44 -98.51 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.49 120.46 39.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . 0.467 HG23 ' CE2' ' F' ' 75' ' ' TYR . 17.2 m -83.96 123.94 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.946 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.36 101.2 0.25 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.64 100.78 0.44 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -60.98 -166.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.798 0.332 . . . . 0.0 110.66 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.87 -47.47 2.73 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.24 131.26 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.761 0.315 . . . . 0.0 110.419 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 67.4 m -106.76 -65.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.696 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.22 104.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.85 122.38 34.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -135.97 116.96 14.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.353 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.87 -171.55 0.46 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.012 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 85.9 p -171.13 163.83 7.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.591 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.32 135.61 6.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.719 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.51 -79.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.289 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.58 79.12 0.06 OUTLIER Glycine 0 CA--C 1.525 0.713 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.576 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.55 173.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 110.696 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.52 160.14 43.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.969 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.68 117.61 20.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 16.7 t 56.42 55.13 6.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.714 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.611 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 0.0 110.688 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -66.89 136.86 56.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . 0.446 HG23 ' O ' ' H' ' 45' ' ' THR . 41.6 m -123.18 136.71 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.265 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.63 163.36 28.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.773 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.35 -51.88 1.39 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.614 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 33.3 m -135.92 157.96 45.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.095 0.474 . . . . 0.0 111.6 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.71 74.48 0.91 Allowed Glycine 0 C--O 1.224 -0.477 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.004 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.65 82.06 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.528 0.204 . . . . 0.0 111.53 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.27 89.35 0.05 OUTLIER Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.38 82.96 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.318 . . . . 0.0 110.526 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.48 127.59 39.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.074 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -101.75 146.33 27.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.278 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.17 121.45 37.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.457 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.28 25.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -60.31 132.48 54.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.568 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -80.82 -27.08 36.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.5 161.18 54.31 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.65 -173.8 2.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.378 . . . . 0.0 110.649 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m 57.54 39.53 27.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.729 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.21 99.62 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -114.09 121.23 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.646 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.69 123.32 49.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.613 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.0 130.67 10.32 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.6 -44.9 7.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 110.502 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.15 -136.32 13.4 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . 0.47 ' OG1' HG22 ' H' ' 68' ' ' THR . 57.9 p -121.35 141.53 50.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 110.544 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.35 164.2 31.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.648 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.37 120.91 18.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.348 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . 0.427 ' OG1' ' C ' ' F' ' 71' ' ' THR . 30.1 p -73.58 165.43 53.09 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.901 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . 0.42 ' N ' ' OG1' ' H' ' 71' ' ' THR . 41.1 Cg_endo -90.75 104.16 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 123.336 2.69 . . . . 0.0 114.572 -175.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.66 113.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.107 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.92 101.48 2.63 Favored Glycine 0 CA--C 1.523 0.577 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.668 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . 0.468 ' CE2' HG23 ' G' ' 78' ' ' THR . 0.1 OUTLIER 66.78 69.44 0.41 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 111.118 179.19 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.38 -98.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -99.47 120.38 39.53 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . 0.468 HG23 ' CE2' ' G' ' 75' ' ' TYR . 17.4 m -83.91 124.01 30.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.96 0.409 . . . . 0.0 111.016 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.4 101.26 0.25 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.67 100.72 0.44 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.94 -166.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.767 0.317 . . . . 0.0 110.69 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.88 -47.46 2.72 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.19 131.13 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.704 0.288 . . . . 0.0 110.493 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 66.6 m -106.72 -65.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.31 104.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.664 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.81 122.31 34.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 70.9 m -135.9 116.98 14.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.95 -171.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.888 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -171.15 163.86 7.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.594 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.31 135.62 6.12 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.745 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.54 -79.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.327 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.64 79.18 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.493 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.62 173.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.724 0.297 . . . . 0.0 110.691 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.5 160.17 43.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.68 117.6 20.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 16.9 t 56.46 55.07 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.221 -0.399 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.658 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.829 0.347 . . . . 0.0 110.663 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -66.89 136.9 56.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . 0.447 HG23 ' O ' ' I' ' 45' ' ' THR . 41.0 m -123.23 136.64 54.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.59 163.29 28.39 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.732 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 54.3 m -127.35 -51.79 1.39 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.451 -0.499 . . . . 0.0 111.715 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 33.7 m -135.88 157.98 45.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 0.0 111.612 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.79 74.52 0.91 Allowed Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.975 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.66 82.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.613 0.244 . . . . 0.0 111.474 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.33 89.32 0.05 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.3 82.99 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 110.567 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -130.52 127.58 39.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.088 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -101.74 146.23 28.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.308 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.15 121.47 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.437 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.22 25.58 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.35 132.5 54.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.582 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -80.86 -27.09 36.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.44 161.17 54.3 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.66 -173.81 2.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.309 . . . . 0.0 110.72 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 50.5 m 57.46 39.73 27.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.687 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.32 99.65 10.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.498 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -114.12 121.24 43.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.637 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.69 123.35 49.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.03 130.6 10.29 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.65 -44.71 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.557 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.04 -136.36 13.43 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . 0.472 ' OG1' HG22 ' I' ' 68' ' ' THR . 57.3 p -121.39 141.52 50.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.847 0.356 . . . . 0.0 110.587 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.32 164.14 31.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.679 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.3 120.93 18.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.303 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . 0.425 ' OG1' ' C ' ' G' ' 71' ' ' THR . 30.3 p -73.73 165.58 51.85 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.832 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . 0.411 ' C ' ' HB3' ' G' ' 72' ' ' PRO . 41.4 Cg_endo -90.81 104.18 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 123.326 2.684 . . . . 0.0 114.539 -175.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.64 113.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.88 101.42 2.62 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.744 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . 0.466 ' CE2' HG23 ' H' ' 78' ' ' THR . 0.1 OUTLIER 66.86 69.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.223 0.535 . . . . 0.0 111.116 179.212 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.41 -98.52 0.01 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.43 120.35 39.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . 0.466 HG23 ' CE2' ' H' ' 75' ' ' TYR . 17.3 m -83.91 124.17 30.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 111.016 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.52 101.22 0.25 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.68 100.79 0.44 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -60.98 -166.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.826 0.346 . . . . 0.0 110.652 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.93 -47.37 2.71 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.19 131.17 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.762 0.315 . . . . 0.0 110.415 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 67.5 m -106.66 -65.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.699 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? 65.31 104.38 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.78 122.41 34.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -135.96 116.88 14.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.394 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.97 -171.79 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.902 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -170.92 163.97 7.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.618 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.35 135.6 6.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.783 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.52 -79.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.256 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.6 79.23 0.06 OUTLIER Glycine 0 CA--C 1.526 0.758 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.508 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.57 173.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.694 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.54 160.07 43.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.934 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.58 117.62 20.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.5 55.07 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 82.5 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.705 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.801 0.334 . . . . 0.0 110.727 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -66.72 137.08 56.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . 0.447 ' O ' HG23 ' H' ' 45' ' ' THR . 39.9 m -123.42 136.65 54.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.92 161.89 31.97 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 53.1 m -126.27 -52.41 1.51 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.696 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 34.1 m -135.37 158.03 45.39 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.637 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.87 74.5 0.92 Allowed Glycine 0 C--O 1.225 -0.431 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.967 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 39.4 82.7 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.672 0.273 . . . . 0.0 111.44 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.59 89.32 0.06 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 65.05 83.49 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.456 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 42.8 t -131.04 127.44 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.905 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -101.74 146.17 28.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.351 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.03 121.49 38.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.465 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 79.9 p -152.25 25.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.35 132.43 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.68 -27.2 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.622 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.34 161.2 54.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.74 -173.8 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.655 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 50.5 m 57.45 39.7 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.738 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.39 99.73 10.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.07 121.43 43.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.648 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 84.9 m -114.03 123.38 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.575 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.01 130.43 10.23 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -95.1 -44.09 7.81 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.542 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.9 -136.65 13.62 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . 0.472 HG22 ' OG1' ' H' ' 68' ' ' THR . 52.2 p -121.23 141.62 50.7 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.542 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.42 164.24 31.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.901 0.381 . . . . 0.0 110.582 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -136.25 121.18 18.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.18 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . 0.412 ' OG1' ' C ' ' H' ' 71' ' ' THR . 31.2 p -73.1 166.67 41.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.715 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . 0.402 ' C ' ' HB3' ' H' ' 72' ' ' PRO . 44.8 Cg_endo -91.17 104.79 0.26 Allowed 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 123.282 2.654 . . . . 0.0 114.387 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -53.98 113.53 1.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.046 0.45 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.07 101.49 2.64 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.634 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' I' ' 78' ' ' THR . 0.2 OUTLIER 66.98 69.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.028 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.29 -98.26 0.01 OUTLIER Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 30.3 t -99.37 120.63 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . 0.467 HG23 ' CE2' ' I' ' 75' ' ' TYR . 18.6 m -83.51 124.42 30.72 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.001 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.79 101.13 0.24 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.72 100.9 0.44 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -61.12 -166.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.957 0.408 . . . . 0.0 110.67 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.98 -47.18 2.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.15 131.21 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.692 0.282 . . . . 0.0 110.509 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 67.1 m -106.64 -65.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.26 104.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.85 122.35 34.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 71.0 m -135.85 116.96 14.39 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.303 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.04 -172.45 0.5 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.854 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.0 p -170.32 164.05 8.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.618 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 4.4 m -162.03 136.15 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.863 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -49.42 -79.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.54 78.99 0.07 OUTLIER Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.434 -0.889 . . . . 0.0 111.416 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.44 173.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.82 0.343 . . . . 0.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.58 160.03 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.57 117.64 20.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.385 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 16.6 t 56.37 55.32 6.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.679 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.574 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.709 0.29 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.6 m -130.46 133.66 46.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.699 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.468 HG22 ' OG ' ' A' ' 77' ' ' SER . 25.8 m -136.06 122.84 21.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.318 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -150.08 127.07 11.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.343 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.39 -52.45 9.11 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.637 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 p -132.5 -175.53 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.016 0.436 . . . . 0.0 110.987 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.13 68.44 1.65 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' A' ' 58' ' ' TYR . 10.7 m-85 31.98 71.45 0.08 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.146 0.556 . . . . 0.0 112.077 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.7 96.54 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 67.77 87.06 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.859 0.362 . . . . 0.0 110.447 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.9 t -161.87 144.1 11.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.782 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.8 p -150.36 164.66 35.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.432 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 42.01 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.483 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.8 m -59.97 -41.01 91.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.599 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m 49.76 61.65 3.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' A' ' 50' ' ' TYR . 78.8 m-85 -59.96 -39.47 85.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.18 -150.86 12.03 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.06 27.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.707 0.289 . . . . 0.0 110.807 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.5 t -154.2 -69.15 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.751 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.79 105.06 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.519 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.56 154.59 51.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.003 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -134.35 133.96 41.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.66 -160.53 0.09 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.15 -52.05 12.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.08 -120.55 4.85 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -135.31 125.34 25.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.921 0.391 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -150.77 179.49 8.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.072 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -117.06 109.62 17.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.751 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 173.09 6.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.44 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -44.02 172.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 123.044 2.496 . . . . 0.0 113.623 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -102.94 -160.81 0.8 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.751 -1.113 . . . . 0.0 108.588 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.71 93.14 0.01 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.408 ' CG ' ' HA ' ' B' ' 75' ' ' TYR . 2.4 t80 -178.73 -41.07 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.02 -159.98 2.53 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.468 ' OG ' HG22 ' A' ' 45' ' ' THR . 27.7 t -97.1 90.92 5.32 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.994 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.5 p -65.04 118.84 9.72 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.89 89.93 0.51 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.51 130.3 1.15 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -90.78 53.83 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.053 0.454 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.1 -70.41 0.34 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -159.48 106.88 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.477 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -131.95 85.53 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -136.18 143.15 44.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.441 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 p -163.9 -175.92 4.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.04 0.448 . . . . 0.0 111.289 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -144.98 139.36 27.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.731 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.09 -170.56 0.55 Allowed 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.146 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -170.7 167.11 7.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 111.095 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.32 137.18 51.82 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.371 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -139.95 87.92 2.19 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.202 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.87 59.69 0.22 Allowed Glycine 0 CA--C 1.526 0.753 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.581 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -98.53 116.1 30.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 110.635 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.3 137.11 37.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.804 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.98 119.74 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.48 79.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.599 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.522 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.714 0.293 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 61.7 m -130.27 133.56 46.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . 0.47 HG22 ' OG ' ' B' ' 77' ' ' SER . 25.3 m -135.98 122.81 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.419 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -150.04 127.02 11.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.757 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.4 HG22 ' N ' ' B' ' 48' ' ' SER . 1.0 OUTLIER -77.57 -52.65 8.68 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.59 -179.542 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.4 ' N ' HG22 ' B' ' 47' ' ' THR . 59.7 p -132.4 -175.37 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.097 0.475 . . . . 0.0 110.957 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.64 1.34 Allowed Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 30.66 71.99 0.07 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.965 0.45 . . . . 0.0 112.193 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.08 96.45 0.27 Allowed Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.94 86.89 0.13 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.854 0.359 . . . . 0.0 110.433 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.86 143.82 11.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.816 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 98.4 p -150.2 164.8 34.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.521 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 41.95 30.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.462 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -59.94 -41.07 91.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.578 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m 49.83 61.66 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.522 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -60.0 -39.4 85.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.775 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.25 -150.72 11.86 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.22 27.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 0.0 110.79 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 24.1 t -154.32 -68.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.86 105.03 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -135.52 154.92 51.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.013 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 99.2 m -134.54 134.16 41.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.686 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -160.39 0.09 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.21 -51.94 13.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.736 0.303 . . . . 0.0 110.911 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.86 -120.55 4.86 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.37 125.36 25.85 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.54 -179.97 7.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.427 . . . . 0.0 111.056 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -117.41 109.33 16.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.746 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.83 173.3 6.85 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.341 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -43.82 173.46 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 123.072 2.515 . . . . 0.0 113.557 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' B' ' 75' ' ' TYR . 1.2 tp60 -104.56 -161.6 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.913 -1.04 . . . . 0.0 108.457 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.88 93.17 0.01 OUTLIER Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' C' ' 75' ' ' TYR . 2.4 t80 -178.22 -42.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.983 0.421 . . . . 0.0 110.75 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.46 -159.89 2.91 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.47 ' OG ' HG22 ' B' ' 45' ' ' THR . 27.8 t -97.23 90.62 5.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.69 0.281 . . . . 0.0 110.927 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 65.6 p -64.66 118.94 9.63 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.93 90.18 0.51 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.35 130.31 1.15 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -90.62 54.47 2.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.001 0.429 . . . . 0.0 110.795 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.45 -70.37 0.33 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 25.8 t -159.57 107.09 1.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.848 0.356 . . . . 0.0 110.521 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -132.01 85.51 2.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.354 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.21 142.89 44.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.521 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -163.57 -175.81 4.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.071 0.463 . . . . 0.0 111.374 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -145.05 139.04 27.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.762 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.81 -170.45 0.57 Allowed 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.321 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -170.76 166.98 7.82 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.17 137.02 51.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.423 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -140.14 88.67 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.215 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.34 60.04 0.22 Allowed Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.623 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -98.65 116.04 30.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 110.617 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.4 137.05 36.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.93 119.73 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.372 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.56 79.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.561 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.713 0.292 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -130.32 133.62 46.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.744 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . 0.467 HG22 ' OG ' ' C' ' 77' ' ' SER . 25.4 m -135.97 122.81 21.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.386 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -150.05 127.14 11.23 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.682 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . 0.4 HG22 ' N ' ' C' ' 48' ' ' SER . 1.0 OUTLIER -77.63 -52.71 8.56 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.612 -179.552 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . 0.4 ' N ' HG22 ' C' ' 47' ' ' THR . 59.9 p -132.37 -175.37 3.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.078 0.466 . . . . 0.0 110.998 -179.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.59 1.35 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . 0.411 ' CZ ' ' OH ' ' C' ' 58' ' ' TYR . 10.2 m-85 30.67 71.92 0.07 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.08 96.49 0.27 Allowed Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.92 86.86 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 0.0 110.453 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -161.83 143.85 11.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 100.0 p -150.13 164.78 34.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.39 41.94 30.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.442 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 74.2 m -59.89 -41.03 90.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.654 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 53.3 m 49.73 61.69 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.565 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . 0.411 ' OH ' ' CZ ' ' C' ' 50' ' ' TYR . 78.6 m-85 -59.93 -39.58 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.735 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.38 -150.69 11.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.26 27.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 110.794 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 24.3 t -154.32 -69.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.745 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.82 104.98 7.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.501 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.52 155.01 51.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 111.047 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 99.0 m -134.46 134.23 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.98 -160.33 0.09 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.32 -51.94 13.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.684 0.278 . . . . 0.0 110.927 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.92 -120.64 4.89 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -135.34 125.39 25.94 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.565 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.65 -179.97 7.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 111.044 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -117.39 109.43 16.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.713 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.87 173.34 6.8 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.316 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -43.88 173.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 123.066 2.511 . . . . 0.0 113.523 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' C' ' 75' ' ' TYR . 1.2 tp60 -104.7 -161.64 0.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.375 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.96 93.15 0.01 OUTLIER Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . 0.414 ' CG ' ' HA ' ' D' ' 75' ' ' TYR . 2.4 t80 -178.18 -41.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 110.753 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.28 -159.79 2.8 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . 0.467 ' OG ' HG22 ' C' ' 45' ' ' THR . 27.8 t -97.24 90.66 5.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.683 0.278 . . . . 0.0 110.934 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 64.5 p -64.74 118.85 9.55 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.86 90.29 0.52 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.28 130.31 1.15 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -90.7 54.47 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.916 0.388 . . . . 0.0 110.707 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.39 -70.24 0.33 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 25.8 t -159.63 107.13 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 110.462 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -132.1 85.55 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.25 142.79 44.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.519 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 16.2 p -163.52 -175.82 4.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.008 0.432 . . . . 0.0 111.411 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 66.9 m -145.03 139.01 27.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.718 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.78 -170.48 0.58 Allowed 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.348 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -170.77 166.9 7.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.814 0.34 . . . . 0.0 111.079 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.13 137.01 51.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.419 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.11 88.69 2.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.265 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.3 60.09 0.23 Allowed Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.619 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -98.6 116.02 29.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.733 0.301 . . . . 0.0 110.642 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.36 137.08 36.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 119.77 21.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.64 78.98 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.571 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.704 0.287 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 63.1 m -130.29 133.58 46.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . 0.47 HG22 ' OG ' ' D' ' 77' ' ' SER . 25.1 m -136.01 122.86 21.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.462 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -150.07 127.01 11.12 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . 0.401 HG22 ' N ' ' D' ' 48' ' ' SER . 1.0 OUTLIER -77.48 -52.78 8.52 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.629 -179.662 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . 0.401 ' N ' HG22 ' D' ' 47' ' ' THR . 59.6 p -132.21 -175.32 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.97 0.414 . . . . 0.0 111.11 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.79 69.71 1.32 Allowed Glycine 0 C--O 1.224 -0.483 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . 0.411 ' CZ ' ' OH ' ' D' ' 58' ' ' TYR . 10.2 m-85 30.57 72.14 0.06 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 179.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.24 96.47 0.28 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.88 86.91 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.39 . . . . 0.0 110.434 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.87 143.85 11.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 97.2 p -150.17 164.75 34.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.557 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.38 41.93 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 73.9 m -59.88 -41.12 90.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 52.7 m 49.88 61.67 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.512 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . 0.411 ' OH ' ' CZ ' ' D' ' 50' ' ' TYR . 78.8 m-85 -59.94 -39.59 86.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.38 -150.72 11.77 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.725 0.298 . . . . 0.0 110.778 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 24.4 t -154.29 -69.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.796 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.82 105.01 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.464 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.46 155.03 51.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 111.033 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -134.54 134.13 41.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.758 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.82 -160.37 0.09 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.31 -51.87 13.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.735 0.302 . . . . 0.0 111.03 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.9 -120.6 4.88 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.39 125.42 25.94 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.7 179.97 7.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.952 0.406 . . . . 0.0 111.026 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -117.36 109.44 16.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.682 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.96 173.39 6.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.31 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -43.81 173.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 123.06 2.507 . . . . 0.0 113.504 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' D' ' 75' ' ' TYR . 1.2 tp60 -104.71 -161.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.341 178.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.95 93.05 0.01 OUTLIER Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . 0.423 ' CG ' ' HA ' ' E' ' 75' ' ' TYR . 2.4 t80 -178.07 -41.94 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.939 0.399 . . . . 0.0 110.754 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.34 -159.91 2.81 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . 0.47 ' OG ' HG22 ' D' ' 45' ' ' THR . 27.6 t -97.2 90.77 5.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.737 0.304 . . . . 0.0 110.951 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 65.8 p -64.62 118.83 9.44 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.886 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.89 90.17 0.51 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.34 130.4 1.16 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -90.72 54.57 2.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.983 0.42 . . . . 0.0 110.74 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.46 -70.26 0.33 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 25.1 t -159.7 107.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.438 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.13 85.43 2.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.348 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.13 142.84 44.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -163.58 -175.92 4.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.002 0.43 . . . . 0.0 111.367 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -144.94 139.08 27.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.77 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.82 -170.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.345 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -170.7 166.97 7.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.14 136.92 51.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.398 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -140.1 88.77 2.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.235 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.28 60.12 0.23 Allowed Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.667 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -98.64 115.97 29.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.738 0.304 . . . . 0.0 110.697 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.32 137.03 37.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.95 119.84 21.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 33.4 t 58.52 79.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.542 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.531 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.698 0.285 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 61.8 m -130.28 133.59 46.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.803 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . 0.47 HG22 ' OG ' ' E' ' 77' ' ' SER . 25.3 m -136.02 122.74 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.46 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.94 127.96 11.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . 0.424 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -81.1 -49.39 10.92 Favored 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 119.11 -1.036 . . . . 0.0 111.888 -178.34 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . 0.424 ' N ' HG22 ' E' ' 47' ' ' THR . 57.0 p -130.93 -175.38 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.066 0.46 . . . . 0.0 111.59 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 69.07 70.64 1.12 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 177.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' E' ' 49' ' ' GLY . 10.9 m-85 27.11 76.64 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.323 0.649 . . . . 0.0 110.953 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.61 93.89 0.27 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 68.97 87.16 0.12 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 15.6 t -162.0 143.86 11.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 99.6 p -149.95 165.14 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.373 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.17 41.9 31.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 110.427 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 74.1 m -59.83 -41.18 90.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.623 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 53.7 m 49.91 61.68 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' E' ' 50' ' ' TYR . 78.6 m-85 -59.99 -39.59 86.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.725 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.41 -150.6 11.65 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.33 26.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.718 0.294 . . . . 0.0 110.755 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 23.9 t -154.27 -69.09 0.14 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.78 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.68 104.2 6.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.694 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -134.98 155.1 51.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.944 0.402 . . . . 0.0 111.019 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -134.57 134.01 40.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.597 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.96 -161.98 0.1 OUTLIER Glycine 0 CA--C 1.524 0.656 0 O-C-N 124.621 1.2 . . . . 0.0 111.03 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.44 -52.36 10.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.641 0.258 . . . . 0.0 110.922 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.14 -120.27 4.75 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -135.8 125.13 24.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.124 0.964 . . . . 0.0 110.795 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -151.09 179.39 8.31 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.297 -0.877 . . . . 0.0 110.755 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 94.5 p -117.71 111.63 19.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.43 173.27 6.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 125.02 1.45 . . . . 0.0 109.771 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -44.53 174.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.504 2.104 0 C-N-CA 122.902 2.401 . . . . 0.0 113.474 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' E' ' 75' ' ' TYR . 1.2 tp60 -104.51 -161.24 0.81 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.607 -1.178 . . . . 0.0 108.468 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.67 91.82 0.01 OUTLIER Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . 0.423 ' HA ' ' CG ' ' D' ' 75' ' ' TYR . 2.4 t80 -177.54 -41.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.361 . . . . 0.0 111.09 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.99 -159.66 2.61 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . 0.47 ' OG ' HG22 ' E' ' 45' ' ' THR . 28.2 t -96.89 89.8 5.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.432 0.158 . . . . 0.0 111.164 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 59.6 p -64.39 119.38 10.24 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.52 89.31 0.49 Allowed Glycine 0 CA--C 1.541 1.684 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.297 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.28 129.54 1.08 Allowed Glycine 0 C--N 1.343 0.933 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -90.34 56.48 3.38 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.677 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -120.6 -69.88 0.29 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 25.6 t -159.86 107.06 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -131.67 84.48 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.07 0.856 . . . . 0.0 110.275 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -135.63 142.3 45.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.68 0.276 . . . . 0.0 110.492 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 16.9 p -163.17 -176.49 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.048 0.452 . . . . 0.0 111.391 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 66.6 m -144.61 139.12 27.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.716 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.86 -170.49 0.57 Allowed 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.448 0.642 . . . . 0.0 111.321 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 88.6 p -169.7 168.34 9.08 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.834 -0.542 . . . . 0.0 111.078 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.69 136.94 51.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.759 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -139.46 88.45 2.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.489 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.38 59.82 0.22 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.566 -0.613 . . . . 0.0 111.566 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -96.49 115.56 27.64 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.992 -0.122 . . . . 0.0 111.157 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.28 137.1 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.828 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.44 119.68 21.95 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.196 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 33.2 t 58.61 79.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.723 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.608 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.676 0.274 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 62.3 m -130.36 133.62 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.753 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . 0.468 HG22 ' OG ' ' F' ' 77' ' ' SER . 25.4 m -136.16 122.91 21.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.41 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -150.03 127.18 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.718 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . 0.403 HG22 ' N ' ' F' ' 48' ' ' SER . 1.0 OUTLIER -77.61 -52.78 8.46 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.595 -179.62 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . 0.403 ' N ' HG22 ' F' ' 47' ' ' THR . 59.7 p -132.24 -175.43 3.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.028 0.442 . . . . 0.0 111.042 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.98 69.87 1.29 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . 0.41 ' CZ ' ' OH ' ' F' ' 58' ' ' TYR . 10.2 m-85 30.37 72.02 0.06 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.13 96.42 0.27 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.9 86.86 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.907 0.384 . . . . 0.0 110.425 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.79 143.8 11.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.799 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -150.13 164.79 34.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.35 42.03 30.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.457 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -59.91 -41.04 90.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.662 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 52.9 m 49.73 61.73 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.521 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . 0.41 ' OH ' ' CZ ' ' F' ' 50' ' ' TYR . 78.6 m-85 -59.97 -39.55 86.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.34 -150.69 11.77 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.71 0.29 . . . . 0.0 110.758 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 24.0 t -154.34 -69.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.78 105.02 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.474 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.57 155.1 51.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.918 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -134.63 134.16 40.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.662 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.88 -160.34 0.09 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.38 -51.85 14.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.65 0.262 . . . . 0.0 110.962 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.88 -120.63 4.89 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -135.44 125.41 25.83 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.632 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -150.66 -179.96 7.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 111.026 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 97.4 p -117.32 109.41 16.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.683 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.97 173.37 6.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.327 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -43.8 173.6 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 123.088 2.525 . . . . 0.0 113.474 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' F' ' 75' ' ' TYR . 1.2 tp60 -104.71 -161.67 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.355 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.89 93.13 0.01 OUTLIER Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . 0.417 ' CG ' ' HA ' ' G' ' 75' ' ' TYR . 2.4 t80 -178.21 -41.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 110.683 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.33 -159.87 2.81 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . 0.468 ' OG ' HG22 ' F' ' 45' ' ' THR . 27.9 t -97.23 90.66 5.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.693 0.282 . . . . 0.0 110.886 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 65.2 p -64.66 118.91 9.58 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.86 90.12 0.51 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.36 130.36 1.16 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -90.63 54.51 2.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.921 0.391 . . . . 0.0 110.756 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.4 -70.28 0.33 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 25.6 t -159.59 107.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.831 0.348 . . . . 0.0 110.514 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.08 85.5 2.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.24 142.72 44.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.588 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -163.45 -175.86 4.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.017 0.437 . . . . 0.0 111.449 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 66.9 m -145.0 139.09 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.686 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.77 -170.49 0.58 Allowed 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.31 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -170.79 166.93 7.76 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.05 136.97 51.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.46 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.14 88.73 2.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.247 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.29 60.12 0.23 Allowed Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.61 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -98.63 115.94 29.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.741 0.305 . . . . 0.0 110.635 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.35 137.04 36.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.89 119.68 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.479 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.58 79.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.562 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.537 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.706 0.288 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 62.4 m -130.35 133.61 46.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.745 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . 0.469 HG22 ' OG ' ' G' ' 77' ' ' SER . 25.3 m -135.98 122.82 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.4 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -150.05 127.06 11.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.705 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . 0.405 HG22 ' N ' ' G' ' 48' ' ' SER . 1.0 OUTLIER -77.55 -52.81 8.43 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.554 -179.563 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . 0.405 ' N ' HG22 ' G' ' 47' ' ' THR . 59.7 p -132.2 -175.33 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.0 0.429 . . . . 0.0 111.135 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.84 69.75 1.31 Allowed Glycine 0 C--O 1.224 -0.514 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' G' ' 58' ' ' TYR . 10.2 m-85 30.64 71.89 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.13 96.43 0.27 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.92 86.89 0.13 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.86 0.362 . . . . 0.0 110.448 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -161.85 143.7 11.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -150.07 164.73 34.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.543 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 42.0 30.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.481 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 73.9 m -59.89 -41.01 90.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.636 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 53.1 m 49.82 61.69 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.485 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' G' ' 50' ' ' TYR . 79.0 m-85 -59.99 -39.47 85.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.804 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.32 -150.7 11.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.35 27.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.689 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 24.1 t -154.34 -69.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.85 105.04 7.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.473 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.59 155.03 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -134.5 134.17 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.704 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.85 -160.34 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.4 -51.92 14.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.682 0.277 . . . . 0.0 110.905 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.88 -120.61 4.88 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.37 125.31 25.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.653 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.59 -179.93 7.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.009 0.433 . . . . 0.0 111.067 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -117.5 109.42 16.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.702 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.91 173.34 6.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.299 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.87 173.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 123.102 2.535 . . . . 0.0 113.47 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' G' ' 75' ' ' TYR . 1.2 tp60 -104.59 -161.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.422 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.83 93.02 0.01 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . 0.417 ' HA ' ' CG ' ' F' ' 75' ' ' TYR . 2.4 t80 -178.03 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.983 0.421 . . . . 0.0 110.74 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.3 -159.86 2.79 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . 0.469 ' OG ' HG22 ' G' ' 45' ' ' THR . 27.8 t -97.29 90.68 5.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.731 0.3 . . . . 0.0 110.915 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 64.9 p -64.67 118.92 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.93 90.21 0.52 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.36 130.36 1.16 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -90.59 54.4 2.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.935 0.398 . . . . 0.0 110.783 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.37 -70.27 0.33 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 25.3 t -159.62 107.15 1.72 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.808 0.337 . . . . 0.0 110.473 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -132.12 85.51 2.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.15 142.82 44.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.612 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -163.52 -175.89 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.075 0.464 . . . . 0.0 111.374 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -144.94 139.12 27.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.724 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.87 -170.55 0.57 Allowed 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.287 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -170.69 166.96 7.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.857 0.361 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.12 136.94 51.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.415 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.12 88.85 2.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.196 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.17 60.06 0.23 Allowed Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.736 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -98.57 116.03 29.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.709 0.29 . . . . 0.0 110.646 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.46 137.13 36.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.9 0.381 . . . . 0.0 110.771 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 119.76 21.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.394 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.54 79.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.62 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.567 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.744 0.306 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -130.36 133.7 46.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.705 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . 0.468 HG22 ' OG ' ' H' ' 77' ' ' SER . 25.4 m -136.07 122.76 21.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.366 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -149.95 127.23 11.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.68 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . 0.402 HG22 ' N ' ' H' ' 48' ' ' SER . 1.0 OUTLIER -77.65 -52.81 8.38 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.55 -179.639 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . 0.402 ' N ' HG22 ' H' ' 47' ' ' THR . 59.8 p -132.26 -175.45 3.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.039 0.447 . . . . 0.0 111.008 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.72 1.32 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' H' ' 58' ' ' TYR . 10.4 m-85 30.59 71.94 0.07 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.02 96.45 0.27 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.87 86.84 0.13 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.912 0.387 . . . . 0.0 110.424 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 15.7 t -161.77 143.69 11.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 97.6 p -150.05 164.79 34.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.508 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.39 41.95 30.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.473 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -59.9 -41.01 90.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.619 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 52.8 m 49.71 61.7 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' H' ' 50' ' ' TYR . 78.7 m-85 -60.0 -39.43 85.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.28 -150.7 11.82 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.33 27.16 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.698 0.285 . . . . 0.0 110.744 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 24.2 t -154.38 -69.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.806 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.77 104.97 7.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.5 155.0 51.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 111.01 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 99.6 m -134.61 134.22 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.71 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.91 -160.3 0.09 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.28 -52.01 13.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.657 0.265 . . . . 0.0 110.9 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.89 -120.68 4.91 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.33 125.3 25.8 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.587 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -150.58 -180.0 7.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.992 0.425 . . . . 0.0 111.028 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -117.38 109.52 16.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.682 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.01 173.38 6.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.317 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -43.88 173.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 123.094 2.529 . . . . 0.0 113.467 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' H' ' 75' ' ' TYR . 1.2 tp60 -104.74 -161.61 0.83 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.393 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.02 93.18 0.01 OUTLIER Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . 0.417 ' HA ' ' CG ' ' G' ' 75' ' ' TYR . 2.4 t80 -178.04 -42.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.001 0.429 . . . . 0.0 110.707 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.47 -159.79 2.96 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . 0.468 ' OG ' HG22 ' H' ' 45' ' ' THR . 27.8 t -97.31 90.61 5.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.656 0.265 . . . . 0.0 110.909 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -64.57 119.0 9.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.94 90.25 0.52 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.29 130.39 1.16 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -90.74 54.57 2.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.895 0.379 . . . . 0.0 110.677 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.45 -70.27 0.33 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 25.0 t -159.56 107.11 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.443 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.03 85.51 2.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.378 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -136.22 142.77 44.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.5 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 16.4 p -163.48 -175.93 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.031 0.443 . . . . 0.0 111.429 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 67.2 m -144.9 139.11 27.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.734 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.84 -170.66 0.58 Allowed 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.324 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.6 p -170.55 167.01 8.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.85 0.357 . . . . 0.0 111.088 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.15 137.02 51.91 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.393 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -140.16 88.92 2.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.188 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.1 60.18 0.23 Allowed Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.69 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -98.61 116.0 29.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.683 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.41 137.05 36.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.99 119.82 21.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.59 79.06 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.562 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.516 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.666 0.27 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 62.2 m -130.26 133.57 46.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.734 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . 0.467 HG22 ' OG ' ' I' ' 77' ' ' SER . 24.7 m -136.09 122.78 21.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.462 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -149.77 128.39 12.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.683 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -52.61 7.94 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.249 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -132.53 -175.38 3.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.987 0.422 . . . . 0.0 111.032 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.02 69.62 1.34 Allowed Glycine 0 C--O 1.224 -0.512 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . 0.408 ' CZ ' ' OH ' ' I' ' 58' ' ' TYR . 10.2 m-85 30.51 73.28 0.05 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.896 0.409 . . . . 0.0 111.974 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.32 96.39 0.33 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 67.81 86.56 0.13 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.818 0.342 . . . . 0.0 110.452 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 16.2 t -161.56 143.82 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.784 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 98.1 p -150.13 164.85 34.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.456 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.28 42.13 30.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -60.05 -41.1 91.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 52.3 m 49.76 61.65 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . 0.408 ' OH ' ' CZ ' ' I' ' 50' ' ' TYR . 78.8 m-85 -59.95 -39.45 85.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.748 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.25 -150.71 11.84 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.686 0.279 . . . . 0.0 110.744 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 24.0 t -154.2 -69.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.378 . . . . 0.0 110.79 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.83 105.07 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.73 155.14 50.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 110.796 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.6 m -134.45 134.48 41.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.694 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.21 -160.11 0.1 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.53 -51.65 15.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.431 0.157 . . . . 0.0 110.853 -179.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.7 -120.82 4.97 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 19.5 p -135.09 126.49 28.49 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.475 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -151.87 179.83 8.1 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.875 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 97.2 p -117.3 109.99 17.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.622 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.35 173.06 7.01 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.197 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -44.3 174.22 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.957 2.438 . . . . 0.0 113.421 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' I' ' 75' ' ' TYR . 1.2 tp60 -104.65 -161.43 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.56 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.87 93.25 0.01 OUTLIER Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' I' ' 73' ' ' GLN . 2.5 t80 -177.68 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.014 0.435 . . . . 0.0 110.444 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.24 -159.23 3.89 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . 0.467 ' OG ' HG22 ' I' ' 45' ' ' THR . 27.6 t -97.91 90.49 4.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.617 0.246 . . . . 0.0 110.724 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 62.6 p -64.27 118.94 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.81 90.34 0.52 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.25 130.51 1.17 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -90.75 55.19 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.337 . . . . 0.0 110.61 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.73 -70.12 0.32 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 24.3 t -159.76 107.18 1.69 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 0.0 110.429 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -132.03 85.66 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.272 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.24 142.59 44.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.528 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 16.5 p -163.44 -176.57 4.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.386 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 66.7 m -144.24 139.12 28.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.809 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.04 -171.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.291 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -169.8 167.13 9.44 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.935 0.398 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -127.96 136.84 51.87 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.517 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -140.37 89.47 2.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.051 0.453 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.7 60.61 0.24 Allowed Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.67 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -98.56 115.83 29.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.727 0.299 . . . . 0.0 110.724 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.39 137.05 36.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.787 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.85 119.77 21.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.381 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.54 79.05 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.64 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.59 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.774 0.321 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -141.08 143.88 34.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.523 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -144.65 143.31 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.779 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -146.88 146.72 30.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.045 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.99 -52.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.186 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.1 t -134.57 129.45 35.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.677 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.98 76.23 0.87 Allowed Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.282 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 31.28 69.9 0.09 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.05 0.5 . . . . 0.0 112.217 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.65 95.22 0.45 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 67.2 94.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.445 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -159.11 160.1 35.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.239 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.8 m -133.41 138.89 46.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.809 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 48.78 29.73 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.791 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.36 152.58 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.349 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.4 m 49.16 38.11 12.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.61 134.21 56.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.676 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.22 -177.44 38.26 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.52 -35.0 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 110.41 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.9 m -128.46 148.13 50.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.411 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.81 55.87 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.47 113.02 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.633 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -119.92 131.85 55.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.04 -161.39 0.19 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -51.7 12.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.935 0.398 . . . . 0.0 111.132 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.39 -119.88 4.59 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.7 p -116.75 110.56 18.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.034 0.445 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.87 160.26 41.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.36 122.89 42.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.571 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.525 HG22 ' CD ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -79.71 170.47 15.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.914 179.783 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.525 ' CD ' HG22 ' A' ' 71' ' ' THR . 51.6 Cg_exo -53.39 106.24 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.323 2.015 . . . . 0.0 112.974 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -69.18 113.47 6.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.46 -85.63 0.39 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -116.27 108.05 15.62 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.275 0.559 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.54 -86.1 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.85 173.82 14.77 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.513 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.435 ' OG1' HG22 ' B' ' 78' ' ' THR . 80.9 p -136.35 166.88 22.43 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.467 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.11 -134.83 1.61 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.05 -93.61 2.22 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -49.08 165.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 79.94 59.86 2.53 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 82' ' ' GLY . 68.2 m -22.72 126.12 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 124.619 0.835 . . . . 0.0 112.146 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.402 ' CB ' HG21 ' A' ' 78' ' ' THR . 60.8 p -103.06 107.48 18.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.114 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.26 103.03 9.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.992 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.2 m -140.39 156.99 46.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.021 0.438 . . . . 0.0 111.245 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.88 134.83 33.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.016 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.5 -176.25 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.955 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.6 p -169.09 160.52 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.6 t -164.06 144.2 8.16 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -145.93 73.08 1.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.257 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.29 53.03 0.09 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -97.36 112.17 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.712 0.291 . . . . 0.0 110.801 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.85 120.59 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.552 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.42 131.74 42.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.429 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.8 m 56.25 49.48 15.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.515 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.55 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.808 0.337 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.92 143.77 34.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.672 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.59 142.98 30.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.788 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -146.47 146.33 30.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.266 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.05 -52.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.34 129.87 36.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.615 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 109.21 78.89 1.07 Allowed Glycine 0 C--O 1.222 -0.61 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.854 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' B' ' 49' ' ' GLY . 9.4 m-85 28.41 70.61 0.06 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 95.29 0.47 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.24 94.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.362 . . . . 0.0 110.46 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.2 p -159.24 160.0 34.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 59.0 m -133.41 138.92 46.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.689 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.815 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.24 152.65 44.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.34 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.16 38.13 12.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.62 134.21 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.711 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.13 -177.08 37.95 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.9 -35.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.322 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 63.9 m -128.54 148.05 50.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.375 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.92 55.83 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.517 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.55 113.09 24.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.613 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -119.87 131.93 55.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.07 -161.22 0.19 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -51.67 13.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.715 0.293 . . . . 0.0 111.056 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.45 -119.92 4.6 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.61 110.4 18.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.515 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.74 160.37 40.85 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 74.8 m -119.37 122.89 42.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.604 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . 0.529 HG22 ' CD ' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -79.75 170.25 16.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.902 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . 0.529 ' CD ' HG22 ' B' ' 71' ' ' THR . 53.0 Cg_exo -53.4 104.44 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.417 2.078 . . . . 0.0 113.249 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -67.21 113.75 5.4 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.5 -85.65 0.39 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.03 108.12 15.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.967 0.413 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.77 -85.67 0.03 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.76 174.16 14.33 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.507 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.436 ' OG1' HG22 ' C' ' 78' ' ' THR . 81.6 p -136.43 167.47 21.28 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.398 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.64 -134.77 1.8 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.02 -93.61 2.22 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.02 164.92 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' B' ' 83' ' ' SER . . . 79.71 60.51 2.45 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . 0.422 ' C ' ' O ' ' B' ' 82' ' ' GLY . 68.2 m -23.35 126.25 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 O-C-N 124.53 0.782 . . . . 0.0 112.114 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.402 ' CB ' HG21 ' B' ' 78' ' ' THR . 60.6 p -103.13 107.55 18.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.071 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.23 102.99 9.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.949 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 63.7 m -140.28 157.06 46.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.96 0.41 . . . . 0.0 111.226 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.89 134.79 33.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.041 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.45 -176.26 5.68 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.052 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -169.01 160.39 9.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.559 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 38.1 t -163.93 144.22 8.36 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.209 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.17 74.68 1.38 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.062 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.74 52.98 0.08 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.33 112.05 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.801 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.81 120.7 31.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.544 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.53 131.72 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.383 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 61.2 m 56.17 49.56 15.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.557 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.5 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.829 0.347 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.92 143.76 34.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.587 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.63 142.95 30.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.744 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -146.42 146.31 30.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.249 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.1 -52.64 1.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.208 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -134.33 129.95 36.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.624 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 109.14 79.03 1.09 Allowed Glycine 0 C--O 1.222 -0.601 0 C-N-CA 120.346 -0.93 . . . . 0.0 111.887 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' C' ' 49' ' ' GLY . 9.4 m-85 28.28 70.65 0.06 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 95.15 0.47 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.31 94.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 110.374 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -159.23 160.0 34.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.287 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 58.6 m -133.38 138.89 46.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.798 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.86 29.63 2.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.771 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.23 152.56 44.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.391 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m 49.21 38.14 12.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -62.69 134.27 56.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.696 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.1 -176.98 37.86 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -135.94 -35.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.355 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 63.4 m -128.48 148.15 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.385 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.8 55.86 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.53 113.08 24.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.641 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -119.77 131.98 55.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.26 -161.19 0.2 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -51.61 13.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.745 0.307 . . . . 0.0 111.099 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.45 -119.89 4.59 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.65 110.39 18.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.493 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -143.76 160.39 40.82 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.41 122.84 42.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . 0.528 HG22 ' CD ' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -79.68 170.27 16.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.926 179.776 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . 0.528 ' CD ' HG22 ' C' ' 71' ' ' THR . 52.8 Cg_exo -53.5 104.21 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.469 2.113 . . . . 0.0 113.286 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.94 113.75 5.21 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.307 0.379 . . . . 0.0 110.121 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.65 -85.83 0.39 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.02 108.35 16.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.422 . . . . 0.0 110.747 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.86 -85.67 0.03 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.71 174.21 14.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.53 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.436 HG22 ' OG1' ' B' ' 78' ' ' THR . 81.5 p -136.45 167.54 21.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.64 -134.76 1.8 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.04 -93.52 2.22 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.13 164.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' C' ' 83' ' ' SER . . . 79.68 60.68 2.42 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . 0.423 ' C ' ' O ' ' C' ' 82' ' ' GLY . 68.6 m -23.48 126.26 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.675 0 O-C-N 124.492 0.76 . . . . 0.0 112.072 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . 0.404 ' CB ' HG21 ' C' ' 78' ' ' THR . 60.4 p -103.14 107.59 18.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.074 -178.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -117.33 102.92 9.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.971 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 63.3 m -140.14 157.01 46.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 111.302 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.85 134.93 33.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.986 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.5 -176.32 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.996 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 90.2 p -168.91 160.53 10.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 38.2 t -163.99 144.21 8.27 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.276 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.25 74.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.043 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.67 53.02 0.08 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.32 112.07 24.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.92 120.62 30.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.499 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.5 131.7 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.415 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m 56.21 49.58 15.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.513 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.587 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.818 0.342 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.96 143.71 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.627 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -144.57 142.95 30.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -146.42 146.31 30.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.189 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.01 -52.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.13 130.03 36.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.67 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 109.16 78.92 1.08 Allowed Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.326 -0.94 . . . . 0.0 111.886 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' E' ' 49' ' ' GLY . 9.4 m-85 28.36 70.67 0.06 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.97 95.18 0.47 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.35 94.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.458 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 86.7 p -159.22 159.97 34.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 59.2 m -133.39 138.99 46.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.74 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.87 29.54 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.789 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 83.7 p -69.2 152.58 44.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.415 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.19 38.17 12.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.72 134.26 56.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.679 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -176.92 37.81 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -136.0 -35.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.905 0.383 . . . . 0.0 110.335 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 63.7 m -128.43 148.17 50.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.78 55.8 8.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.582 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.45 113.19 25.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.687 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -120.02 131.96 55.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.07 -161.22 0.19 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -51.63 13.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.655 0.264 . . . . 0.0 111.059 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.43 -119.85 4.58 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -116.65 110.31 18.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.557 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.7 160.4 40.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.924 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.42 122.86 42.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . 0.527 HG22 ' CD ' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -79.73 170.31 16.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.901 179.75 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . 0.527 ' CD ' HG22 ' D' ' 71' ' ' THR . 52.7 Cg_exo -53.5 104.07 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.548 2.165 . . . . 0.0 113.343 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.77 113.71 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.328 0.393 . . . . 0.0 110.187 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.56 -85.79 0.39 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.09 108.13 15.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.97 0.414 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.65 -85.69 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 88.5 p -160.7 174.19 14.32 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 122.421 -0.458 . . . . 0.0 111.633 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . 0.44 ' OG1' HG22 ' E' ' 78' ' ' THR . 81.1 p -136.36 167.39 21.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.749 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.56 -135.02 1.81 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.536 -1.025 . . . . 0.0 110.536 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -101.83 -93.87 2.21 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -48.83 165.0 0.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' D' ' 83' ' ' SER . . . 79.62 60.71 2.42 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . 0.424 ' C ' ' O ' ' D' ' 82' ' ' GLY . 67.8 m -23.48 126.23 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 124.547 0.793 . . . . 0.0 112.151 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . 0.403 ' CB ' HG21 ' D' ' 78' ' ' THR . 60.3 p -103.15 107.52 18.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.016 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -117.33 102.99 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.944 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 64.2 m -140.3 156.97 46.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 111.271 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 42.5 t -138.75 134.89 34.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.983 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.49 -176.25 5.67 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.101 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 90.5 p -168.96 160.43 10.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.522 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 37.9 t -163.94 144.29 8.37 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.185 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -146.31 75.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.988 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 53.0 0.08 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.31 112.1 24.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.91 120.64 30.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.479 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.48 131.75 42.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.409 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m 56.19 49.59 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.52 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.592 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.804 0.335 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -140.44 143.71 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.44 143.24 30.8 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.824 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -146.05 146.54 30.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.367 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . 0.417 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -122.8 -50.47 1.95 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.179 178.035 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . 0.417 ' N ' HG22 ' E' ' 47' ' ' THR . 35.6 t -131.17 128.3 39.75 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.88 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.84 72.1 0.63 Allowed Glycine 0 C--O 1.216 -0.972 0 C-N-CA 117.872 -2.108 . . . . 0.0 113.327 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' E' ' 49' ' ' GLY . 10.3 m-85 28.27 75.5 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.382 0.61 . . . . 0.0 111.065 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.6 92.85 0.53 Allowed Glycine 0 CA--C 1.519 0.322 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 68.27 94.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.371 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -159.3 160.0 34.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 59.3 m -133.24 139.27 46.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.57 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.76 29.46 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.699 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.25 152.55 44.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.365 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m 49.23 38.12 12.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.68 134.27 56.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.672 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.14 -177.04 37.93 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.92 -35.13 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.378 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 62.8 m -128.5 148.1 50.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.395 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 52.35 56.73 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.414 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -95.13 113.62 25.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.488 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -120.15 131.79 55.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.57 -162.22 0.19 Allowed Glycine 0 CA--C 1.526 0.758 0 O-C-N 123.973 0.796 . . . . 0.0 111.211 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.52 -51.92 11.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.7 0.286 . . . . 0.0 111.087 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.31 -119.74 4.55 Favored Glycine 0 N--CA 1.466 0.673 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.81 109.96 17.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.785 0.326 . . . . 0.0 110.544 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.55 160.5 40.51 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.806 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 75.6 m -119.76 123.73 44.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.42 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . 0.522 HG22 ' CD ' ' E' ' 72' ' ' PRO . 0.0 OUTLIER -80.4 170.11 17.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 O-C-N 124.216 0.948 . . . . 0.0 109.675 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . 0.522 ' CD ' HG22 ' E' ' 71' ' ' THR . 51.3 Cg_exo -54.77 108.06 0.27 Allowed 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.534 1.489 . . . . 0.0 112.36 -177.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -69.3 114.56 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.841 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.92 -85.85 0.39 Allowed Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -115.58 106.11 13.55 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.603 0.239 . . . . 0.0 111.362 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.74 -84.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.671 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -161.18 174.27 13.89 Favored 'General case' 0 CA--C 1.527 0.058 0 CA-C-N 117.266 0.533 . . . . 0.0 111.471 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . 0.44 HG22 ' OG1' ' D' ' 78' ' ' THR . 81.5 p -136.46 167.05 22.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.55 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.72 -133.63 1.63 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -103.34 -91.82 2.21 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.208 -0.996 . . . . 0.0 111.53 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -50.09 164.14 0.12 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.321 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' E' ' 83' ' ' SER . . . 84.74 53.96 3.06 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 118.396 -1.859 . . . . 0.0 110.584 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . 0.441 ' C ' ' O ' ' E' ' 82' ' ' GLY . 66.9 m -20.79 125.95 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 O-C-N 124.148 0.557 . . . . 0.0 112.368 -177.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . 0.405 ' CB ' HG21 ' E' ' 78' ' ' THR . 58.5 p -103.14 106.21 16.68 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.77 -177.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -116.44 101.98 9.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.332 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 64.3 m -140.04 156.73 46.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.935 0.397 . . . . 0.0 111.084 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.78 134.8 33.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.037 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.53 -176.31 5.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.065 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 90.8 p -168.6 160.37 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.465 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 38.3 t -162.96 144.62 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.307 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.09 74.83 1.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.273 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.98 52.54 0.08 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -96.25 111.93 23.83 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.984 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.83 120.7 31.22 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.18 0.3 . . . . 0.0 110.537 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.2 131.65 42.37 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.465 0.478 . . . . 0.0 110.07 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 62.1 m 56.38 49.5 14.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.67 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.542 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.794 0.33 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -140.98 143.79 34.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.63 142.97 30.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -146.38 146.32 30.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.265 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.05 -52.78 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.13 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 40.7 t -134.26 129.75 36.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.625 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' E' ' 50' ' ' TYR . . . 109.3 79.16 1.09 Allowed Glycine 0 CA--C 1.523 0.539 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.928 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' F' ' 49' ' ' GLY . 9.4 m-85 28.01 70.86 0.06 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 178.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.02 95.21 0.48 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.24 94.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 110.417 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 86.2 p -159.19 159.94 34.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -133.32 138.92 46.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.81 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.25 152.6 44.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.363 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m 49.25 38.11 12.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.493 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.69 134.26 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.658 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -177.02 37.9 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -136.0 -35.1 0.78 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.881 0.372 . . . . 0.0 110.377 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -128.39 148.14 50.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.456 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.86 55.87 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.527 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.6 113.11 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -119.81 132.07 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.24 -161.12 0.19 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -51.75 13.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.727 0.298 . . . . 0.0 111.08 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.6 -119.95 4.6 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.6 110.45 18.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.322 . . . . 0.0 110.519 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.74 160.43 40.73 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.938 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.5 122.85 42.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . 0.523 HG22 ' CD ' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -79.67 170.36 16.27 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.819 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . 0.523 ' CD ' HG22 ' F' ' 71' ' ' THR . 52.6 Cg_exo -53.48 104.18 0.1 Allowed 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.491 2.127 . . . . 0.0 113.294 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.86 113.68 5.11 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.237 0.335 . . . . 0.0 110.114 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.59 -85.94 0.39 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.51 108.08 15.99 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.86 -85.58 0.03 OUTLIER Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.77 174.18 14.29 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.498 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . 0.439 ' OG1' HG22 ' G' ' 78' ' ' THR . 81.4 p -136.46 167.56 21.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.451 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.73 -134.71 1.82 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.05 -93.59 2.22 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -48.95 164.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' F' ' 83' ' ' SER . . . 79.58 60.66 2.44 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . 0.426 ' C ' ' O ' ' F' ' 82' ' ' GLY . 68.9 m -23.49 126.28 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.54 0.788 . . . . 0.0 112.097 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . 0.405 ' CB ' HG21 ' F' ' 78' ' ' THR . 60.7 p -103.07 107.53 18.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.153 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.33 102.93 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.952 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 63.6 m -140.23 157.02 46.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.03 0.443 . . . . 0.0 111.292 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.79 134.89 34.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.996 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.48 -176.2 5.64 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.027 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 89.4 p -169.03 160.41 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.568 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 38.3 t -163.83 144.26 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.292 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.24 74.98 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.976 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 52.92 0.08 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.31 112.06 24.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.87 120.61 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.527 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.48 131.71 41.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 61.7 m 56.27 49.55 15.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.509 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.581 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.817 0.341 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -140.89 143.72 34.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.602 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -144.57 142.99 30.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.837 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -146.45 146.28 30.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.256 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.01 -52.76 1.97 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.179 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -134.28 129.89 36.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.613 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 109.14 78.97 1.08 Allowed Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.945 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' G' ' 49' ' ' GLY . 9.4 m-85 28.39 70.68 0.06 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.9 95.15 0.47 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 67.25 94.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -159.2 159.98 34.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.232 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 58.6 m -133.38 138.97 46.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.79 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.818 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.26 152.56 44.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m 49.21 38.2 12.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.518 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.71 134.22 55.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.72 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.08 -176.96 37.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.94 -35.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.916 0.388 . . . . 0.0 110.345 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 62.7 m -128.39 148.1 50.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.463 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.8 55.86 8.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.48 113.08 24.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.695 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -119.82 131.97 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.21 -161.18 0.19 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.09 -51.75 13.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.727 0.298 . . . . 0.0 111.027 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.54 -119.91 4.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.64 110.41 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.73 160.5 40.61 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.92 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.47 122.86 42.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.536 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . 0.521 HG22 ' CD ' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -79.72 170.27 16.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.904 179.764 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . 0.521 ' CD ' HG22 ' G' ' 71' ' ' THR . 52.8 Cg_exo -53.41 104.1 0.1 OUTLIER 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.449 2.099 . . . . 0.0 113.35 -178.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -66.9 113.8 5.23 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.281 0.363 . . . . 0.0 110.08 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.64 -85.73 0.39 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.06 108.21 15.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.72 -85.71 0.03 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.74 174.26 14.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.521 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . 0.44 ' OG1' HG22 ' H' ' 78' ' ' THR . 81.7 p -136.5 167.62 21.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.438 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.7 -134.82 1.83 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.01 -93.54 2.21 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.0 164.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' G' ' 83' ' ' SER . . . 79.74 60.57 2.43 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -179.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . 0.428 ' C ' ' O ' ' G' ' 82' ' ' GLY . 68.2 m -23.36 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.473 0.749 . . . . 0.0 112.102 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . 0.405 ' CB ' HG21 ' G' ' 78' ' ' THR . 59.9 p -103.25 107.57 18.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.079 -178.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.32 102.97 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.931 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 64.4 m -140.21 156.95 46.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.942 0.401 . . . . 0.0 111.263 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.75 134.84 34.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.069 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.45 -176.2 5.64 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.136 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -169.04 160.45 9.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.592 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 37.7 t -163.92 144.21 8.37 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.216 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.21 75.08 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.974 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.52 53.0 0.08 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.36 112.13 24.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 110.78 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.9 120.57 30.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.511 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.42 131.77 42.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.424 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 62.0 m 56.25 49.49 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.563 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.793 0.33 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -140.91 143.71 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.51 142.9 30.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.819 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -146.41 146.28 30.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.307 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.13 -52.67 1.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.32 129.9 36.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.661 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 109.21 78.92 1.07 Allowed Glycine 0 CA--C 1.524 0.632 0 C-N-CA 120.373 -0.918 . . . . 0.0 111.939 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' H' ' 49' ' ' GLY . 9.5 m-85 28.3 70.71 0.06 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.93 95.24 0.47 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.22 94.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.93 0.395 . . . . 0.0 110.395 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 86.4 p -159.21 159.98 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.262 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -133.33 138.94 46.58 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.797 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.76 29.65 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.83 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.27 152.52 44.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.443 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m 49.21 38.26 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.541 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.8 134.27 56.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -177.02 37.89 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.96 -35.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.401 . . . . 0.0 110.384 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 62.8 m -128.43 148.16 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.405 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.83 55.8 8.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.51 113.08 24.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -119.84 132.04 55.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.595 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.24 -161.11 0.19 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.1 -51.76 13.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.792 0.33 . . . . 0.0 111.043 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.49 -119.97 4.61 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -116.64 110.3 18.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.71 160.48 40.63 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.41 122.89 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.521 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . 0.52 HG22 ' CD ' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -79.77 170.22 16.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.876 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . 0.52 ' CD ' HG22 ' H' ' 71' ' ' THR . 53.0 Cg_exo -53.44 104.19 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.477 2.118 . . . . 0.0 113.218 -178.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -66.93 113.75 5.2 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.264 0.353 . . . . 0.0 110.14 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.68 -85.83 0.39 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.9 108.27 16.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.87 0.366 . . . . 0.0 110.78 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.95 -85.44 0.03 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 88.5 p -160.87 174.24 14.15 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.461 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . 0.44 HG22 ' OG1' ' G' ' 78' ' ' THR . 81.6 p -136.49 167.6 21.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.436 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.71 -134.75 1.82 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.02 -93.66 2.22 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.06 164.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' H' ' 83' ' ' SER . . . 79.8 60.49 2.44 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . 0.427 ' C ' ' O ' ' H' ' 82' ' ' GLY . 68.7 m -23.43 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 O-C-N 124.509 0.77 . . . . 0.0 112.074 -179.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . 0.405 ' CB ' HG21 ' H' ' 78' ' ' THR . 60.0 p -103.16 107.53 18.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.079 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -117.28 102.99 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.0 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 63.3 m -140.25 157.0 46.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.013 0.435 . . . . 0.0 111.23 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 42.7 t -138.83 134.79 33.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.054 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.46 -176.29 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.076 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -168.94 160.43 10.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.576 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 38.2 t -163.89 144.26 8.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.306 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -146.29 75.19 1.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.015 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.37 52.97 0.08 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.27 112.03 24.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.297 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.84 120.63 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.515 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.47 131.76 42.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 61.3 m 56.19 49.55 15.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.552 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.546 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.767 0.318 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -140.97 143.51 34.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.598 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 8.9 t -144.49 142.7 30.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -146.48 145.39 30.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.376 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -121.43 -53.04 2.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 42.1 t -133.99 130.16 37.21 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.614 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 109.18 78.92 1.08 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.87 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' I' ' 49' ' ' GLY . 9.3 m-85 28.14 72.18 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.16 95.24 0.57 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 67.27 94.07 0.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.52 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -158.75 160.12 35.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 59.2 m -133.42 138.96 46.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.773 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 48.77 29.6 2.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.827 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.24 152.62 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.371 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.18 38.19 12.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -62.66 134.28 56.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.26 -176.94 37.92 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.96 -35.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.373 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 63.3 m -128.4 148.16 50.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.43 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 52.8 55.83 8.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.591 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.55 113.12 24.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 95.8 m -119.73 132.13 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.37 -161.04 0.2 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.27 -51.56 14.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.569 0.223 . . . . 0.0 110.982 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.39 -120.14 4.68 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 16.5 p -116.45 110.43 18.62 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.492 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.87 160.48 40.71 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.767 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.4 123.33 43.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.453 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . 0.527 HG22 ' HD2' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -80.1 170.22 16.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.713 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . 0.527 ' HD2' HG22 ' I' ' 71' ' ' THR . 53.2 Cg_exo -53.58 104.32 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.57 2.18 . . . . 0.0 112.976 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -66.96 114.29 5.65 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.48 -85.87 0.39 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -115.7 108.54 16.5 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.77 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.85 -85.15 0.03 OUTLIER Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 89.4 p -160.96 174.22 14.12 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.052 0.453 . . . . 0.0 111.496 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . 0.438 HG22 ' OG1' ' H' ' 78' ' ' THR . 82.4 p -136.2 168.35 19.56 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.48 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.18 -134.27 1.9 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.38 -92.85 2.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -49.91 164.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' I' ' 83' ' ' SER . . . 79.92 60.61 2.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . 0.422 ' C ' ' O ' ' I' ' 82' ' ' GLY . 69.2 m -23.34 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.531 0.783 . . . . 0.0 112.121 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . 0.41 ' CB ' HG21 ' I' ' 78' ' ' THR . 59.9 p -103.04 107.47 18.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.124 -178.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.24 102.85 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.05 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 63.8 m -140.21 156.91 46.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.976 0.417 . . . . 0.0 111.275 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.67 134.83 34.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.046 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.62 -176.93 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.041 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 89.6 p -168.29 160.56 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 38.5 t -163.89 144.61 8.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.957 0.408 . . . . 0.0 111.302 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -146.71 76.36 1.43 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.55 52.98 0.07 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -97.25 111.9 23.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.813 0.34 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.88 120.59 30.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.39 131.75 42.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.407 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 61.4 m 56.22 49.54 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.51 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.602 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.767 0.318 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.0 p -78.61 160.63 27.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.051 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 t -144.35 138.98 28.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.657 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -150.71 129.04 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.274 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.12 -52.57 7.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.973 0.416 . . . . 0.0 111.467 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.3 t -132.1 -160.3 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.117 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.94 51.96 31.33 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.456 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 54.74 -175.38 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.88 -59.95 0.81 Allowed Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.148 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.63 -70.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.659 0.266 . . . . 0.0 111.157 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.0 t -109.67 147.71 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.748 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.44 134.25 32.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.662 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.74 152.98 43.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.44 -167.25 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.627 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.35 153.67 28.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -74.29 -33.54 63.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.414 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.1 -169.6 42.39 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.36 135.11 52.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.682 0.277 . . . . 0.0 110.425 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -161.9 -169.56 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.934 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.13 115.3 19.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.368 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -94.28 101.98 13.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.64 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.8 m -121.94 130.44 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.19 -159.44 0.06 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.85 43.16 0.48 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.84 -112.29 0.56 Allowed Glycine 0 C--N 1.338 0.687 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.5 p -130.69 123.81 30.17 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -147.73 168.27 22.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.36 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -133.76 116.18 15.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.87 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.91 162.69 48.98 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -27.83 104.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.14 0 C-N-CA 124.394 3.396 . . . . 0.0 114.814 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -61.45 111.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.535 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.58 105.5 0.37 Allowed Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.6 t80 69.86 92.67 0.08 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.172 0.511 . . . . 0.0 111.318 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.79 -94.17 0.36 Allowed Glycine 0 CA--C 1.526 0.749 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.404 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.8 155.18 18.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 111.018 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.425 HG21 ' OH ' ' B' ' 75' ' ' TYR . 11.9 m -119.93 108.6 14.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.444 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.57 113.33 2.17 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.0 92.73 0.36 Allowed Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -58.86 -166.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.66 0.267 . . . . 0.0 110.585 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.54 -46.8 2.56 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.22 127.49 0.02 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.811 0.338 . . . . 0.0 110.647 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.7 m -148.79 97.87 2.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.114 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.96 120.57 31.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.697 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.5 t -138.69 154.06 48.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.001 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.1 p -138.57 146.32 41.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.099 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -174.27 -172.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.005 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.5 t -172.41 160.64 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.63 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.6 t -163.01 143.82 9.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.973 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -145.95 79.72 1.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.024 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 164.29 55.41 0.02 OUTLIER Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -97.99 116.77 30.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.758 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.57 132.78 42.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.736 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.84 125.44 25.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.665 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.3 m 51.93 34.42 13.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.613 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.794 0.33 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 96.5 p -78.86 160.65 27.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 12.9 t -144.33 139.13 28.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.681 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -150.92 129.02 11.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.586 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.31 -52.77 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.376 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.79 -159.77 0.99 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.109 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.35 53.48 25.1 Favored Glycine 0 C--O 1.223 -0.586 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.25 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.13 -175.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.133 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.78 -60.02 0.81 Allowed Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.061 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -151.64 -70.89 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 111.109 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -109.48 147.66 32.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.7 t -139.41 134.26 32.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.619 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.8 153.04 43.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.49 -167.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.608 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.5 p -80.41 153.61 28.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -74.33 -33.52 63.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.414 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.01 -169.58 42.51 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.46 135.21 52.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 91.6 p -161.78 -169.02 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.03 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.68 115.32 19.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.251 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.38 102.01 13.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -121.79 130.8 53.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.59 -159.35 0.07 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.86 44.09 0.53 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.21 -112.17 0.48 Allowed Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 71.4 p -130.66 123.66 29.88 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.58 168.75 21.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.136 0.493 . . . . 0.0 111.259 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 40.5 t -134.05 116.09 15.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.823 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.1 162.55 48.9 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -27.6 102.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.194 0 C-N-CA 124.713 3.609 . . . . 0.0 115.1 -178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -59.18 111.97 1.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.931 0.396 . . . . 0.0 110.02 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.23 106.07 0.33 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.425 ' OH ' HG21 ' A' ' 78' ' ' THR . 1.6 t80 69.81 92.66 0.08 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.914 0.388 . . . . 0.0 111.219 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.66 -94.19 0.35 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 85.6 p -91.6 155.23 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 111.094 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.424 HG21 ' OH ' ' C' ' 75' ' ' TYR . 12.2 m -119.65 108.48 14.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.5 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.39 113.24 2.16 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.21 92.7 0.35 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -58.99 -166.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.742 0.306 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.78 -46.6 2.51 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.1 127.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.801 0.334 . . . . 0.0 110.671 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.79 97.82 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.105 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -125.01 120.16 30.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.347 . . . . 0.0 110.695 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 27.2 t -138.13 154.17 49.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.54 146.22 41.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.169 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.15 -172.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.089 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.4 160.54 4.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.592 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 30.5 t -162.97 143.81 9.57 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.216 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -146.04 80.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.966 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.42 55.52 0.02 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.93 116.63 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.59 132.87 42.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.734 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.9 125.4 25.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.689 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m 51.9 34.44 13.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.53 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.838 0.351 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 96.3 p -78.91 160.63 27.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 12.9 t -144.26 139.08 28.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.687 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.9 129.0 11.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.581 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.28 -52.62 7.12 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.518 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.91 -159.77 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.105 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.21 53.53 25.41 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.27 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.17 -176.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.162 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.62 -59.97 0.82 Allowed Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.074 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -151.69 -70.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.154 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -109.51 147.71 32.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.46 134.26 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.641 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -124.76 152.95 43.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.48 -167.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.626 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 88.0 p -80.42 153.66 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -74.28 -33.61 63.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.468 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.08 -169.59 42.41 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.4 135.22 52.84 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.395 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -161.76 -169.0 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.69 115.28 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.335 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.46 102.1 14.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.589 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 96.2 m -121.72 130.88 53.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.49 -159.25 0.07 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.96 44.08 0.54 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.15 -112.15 0.48 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 69.4 p -130.75 123.63 29.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.5 168.81 20.96 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.321 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.08 116.16 15.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.811 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.07 162.47 49.23 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.334 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_exo -27.46 102.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.231 0 C-N-CA 124.621 3.547 . . . . 0.0 115.191 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -58.81 112.07 1.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.313 0.383 . . . . 0.0 109.987 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.04 106.11 0.32 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . 0.424 ' OH ' HG21 ' B' ' 78' ' ' THR . 1.7 t80 69.76 92.74 0.08 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.989 0.423 . . . . 0.0 111.208 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.67 -94.11 0.35 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.66 155.24 18.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 0.0 110.966 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.423 HG21 ' OH ' ' D' ' 75' ' ' TYR . 12.6 m -119.67 108.55 14.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.431 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.37 113.38 2.2 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.09 92.68 0.36 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -59.0 -167.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.801 0.334 . . . . 0.0 110.482 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 -46.73 2.47 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.16 127.56 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.885 0.374 . . . . 0.0 110.641 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.82 97.82 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.112 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.97 120.11 30.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.716 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -138.1 154.12 49.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.047 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 90.7 p -138.48 146.22 41.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.169 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.18 -172.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.096 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 46.3 t -172.33 160.47 4.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.652 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.86 143.84 9.77 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.178 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.1 81.04 1.58 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.976 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.33 55.52 0.02 OUTLIER Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -98.01 116.61 30.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.705 0.288 . . . . 0.0 110.773 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.47 132.9 43.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.705 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.95 125.38 25.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.691 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m 51.9 34.47 13.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.703 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.562 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.782 0.325 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 96.3 p -78.94 160.76 27.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.41 139.03 28.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.764 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.86 128.95 11.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.27 -52.8 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.328 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.73 -159.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.208 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.28 53.38 25.91 Favored Glycine 0 C--O 1.224 -0.488 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.269 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.12 -176.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.211 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.48 -60.16 0.82 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.079 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -151.57 -70.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.685 0.279 . . . . 0.0 111.165 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -109.53 147.66 32.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.808 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.46 134.22 32.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.623 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.81 153.0 43.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.407 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.56 -167.0 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.666 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.51 153.68 28.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -74.3 -33.55 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.443 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.99 -169.64 42.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.38 135.23 52.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.686 0.279 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 92.4 p -161.83 -169.01 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.942 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.73 115.32 19.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.232 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.5 102.11 14.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.62 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.78 130.84 53.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -159.31 0.07 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.97 44.3 0.55 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.04 -112.04 0.45 Allowed Glycine 0 C--N 1.338 0.646 0 N-CA-C 111.617 -0.593 . . . . 0.0 111.617 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 69.1 p -130.83 123.63 29.51 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.57 168.78 21.1 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.358 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.01 116.11 15.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.817 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.11 162.45 49.2 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.413 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -27.46 102.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.229 0 C-N-CA 124.658 3.572 . . . . 0.0 115.219 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -58.82 112.01 1.49 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.07 106.04 0.32 Allowed Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . 0.423 ' OH ' HG21 ' C' ' 78' ' ' THR . 1.7 t80 69.89 92.65 0.08 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.861 0.362 . . . . 0.0 111.233 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.65 -94.28 0.35 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 86.0 p -91.49 155.21 18.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 0.0 110.999 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . 0.424 HG21 ' OH ' ' E' ' 75' ' ' TYR . 12.2 m -119.57 108.49 14.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.585 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.38 113.33 2.19 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.14 92.67 0.36 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -58.9 -167.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.56 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.94 -46.73 2.47 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.14 127.54 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.898 0.38 . . . . 0.0 110.63 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.72 97.84 2.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.069 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.97 120.19 30.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.711 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 27.0 t -138.17 154.1 49.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 90.5 p -138.4 146.25 41.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.134 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.19 -172.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.079 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.39 160.63 4.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.651 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t -162.96 143.86 9.62 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.21 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.11 81.18 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.984 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.23 55.54 0.02 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.93 116.55 30.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.691 0.281 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -132.52 132.87 43.09 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.671 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.91 125.37 25.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.662 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m 51.93 34.48 13.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.698 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.504 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.806 0.336 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 95.5 p -78.87 160.52 27.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 13.1 t -144.31 138.61 28.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.741 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -150.13 129.81 13.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . 0.415 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -84.61 -49.41 8.58 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.785 -178.754 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . 0.415 ' N ' HG22 ' E' ' 47' ' ' THR . 10.3 t -130.77 -159.17 0.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.718 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.55 48.28 44.63 Favored Glycine 0 C--O 1.219 -0.835 0 C-N-CA 118.848 -1.644 . . . . 0.0 111.876 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 55.4 -175.61 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.572 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.06 -57.47 0.81 Allowed Glycine 0 CA--C 1.519 0.322 0 C-N-CA 119.724 -1.226 . . . . 0.0 111.261 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -152.23 -74.15 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -108.54 147.21 32.08 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.859 0.725 . . . . 0.0 110.144 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.03 134.52 33.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.799 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.7 153.11 42.84 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.65 0.594 . . . . 0.0 110.482 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.6 -167.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.585 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 87.9 p -80.43 153.63 28.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.25 -33.58 63.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.466 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.01 -169.57 42.51 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.39 135.27 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.695 0.284 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 93.3 p -161.89 -169.04 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.938 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.63 115.12 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.358 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -94.31 101.81 13.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.733 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -121.5 130.58 53.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.646 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.14 -161.82 0.07 OUTLIER Glycine 0 CA--C 1.525 0.673 0 O-C-N 124.217 0.948 . . . . 0.0 111.322 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.32 45.31 0.55 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.426 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.0 -112.27 0.48 Allowed Glycine 0 N--CA 1.47 0.901 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 71.2 p -131.05 123.12 28.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.147 0.499 . . . . 0.0 109.929 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.52 168.61 21.5 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.115 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 40.0 t -134.21 117.06 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.564 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.27 162.93 47.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.245 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' F' ' 73' ' ' GLN . 92.8 Cg_exo -31.93 107.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.588 2.859 . . . . 0.0 114.104 -176.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -61.75 114.09 3.12 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.254 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.47 104.81 0.29 Allowed Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . 0.424 ' OH ' HG21 ' D' ' 78' ' ' THR . 1.6 t80 71.94 90.24 0.09 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.607 178.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.47 -92.16 0.38 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 120.594 -0.813 . . . . 0.0 111.934 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 85.3 p -92.53 154.78 18.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 111.035 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . 0.42 HG21 ' OH ' ' F' ' 75' ' ' TYR . 11.6 m -119.24 107.62 13.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.782 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.88 113.27 2.23 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.11 92.0 0.34 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -58.67 -165.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.59 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.12 -44.42 2.82 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 169.71 127.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.282 0.563 . . . . 0.0 110.44 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 69.4 m -148.9 96.6 2.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.351 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.36 119.18 28.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.749 0.309 . . . . 0.0 110.68 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 26.7 t -137.9 154.07 49.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.41 146.18 41.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.148 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.37 -173.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.065 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -170.27 161.37 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.591 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -162.8 144.07 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.417 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -145.88 80.94 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.987 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.3 55.45 0.02 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -96.39 116.35 28.9 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.948 -0.148 . . . . 0.0 111.161 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.49 132.93 43.2 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.242 0.339 . . . . 0.0 110.75 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.55 125.39 25.64 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.507 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 72.8 m 51.9 34.55 13.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.494 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.742 0.306 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 96.0 p -78.93 160.61 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.3 139.07 28.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.702 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.83 129.11 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.637 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.44 -52.74 6.94 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.348 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.81 -159.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.15 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.22 53.6 25.0 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.255 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.08 -175.82 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.079 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.59 -60.21 0.82 Allowed Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.59 -70.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.717 0.294 . . . . 0.0 111.118 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 46.6 t -109.42 147.68 32.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.49 134.36 32.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.546 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.92 153.01 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.53 -167.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.578 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 88.4 p -80.48 153.6 28.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -74.29 -33.5 63.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.406 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.06 -169.57 42.44 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.43 135.29 52.92 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.433 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 90.9 p -161.8 -168.94 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.006 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.8 115.24 19.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.335 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.45 102.02 13.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.68 130.86 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -159.22 0.07 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.01 44.32 0.56 Allowed 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.96 -112.09 0.45 Allowed Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 69.2 p -130.82 123.7 29.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.59 168.83 20.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.31 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.03 116.12 15.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.846 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.04 162.52 49.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.348 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -27.52 102.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.223 0 C-N-CA 124.642 3.561 . . . . 0.0 115.193 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . 0.423 ' HA ' ' HA ' ' E' ' 72' ' ' PRO . 87.7 mm-40 -58.84 112.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.911 0.386 . . . . 0.0 110.008 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.88 106.13 0.31 Allowed Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . 0.42 ' OH ' HG21 ' E' ' 78' ' ' THR . 1.6 t80 69.76 92.75 0.08 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.991 0.424 . . . . 0.0 111.285 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.76 -94.07 0.36 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 85.8 p -91.64 155.22 18.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.773 0.321 . . . . 0.0 111.041 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . 0.421 HG21 ' OH ' ' G' ' 75' ' ' TYR . 12.4 m -119.62 108.49 14.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.35 113.35 2.2 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.08 92.83 0.36 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -58.99 -167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.773 0.321 . . . . 0.0 110.493 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.85 -46.63 2.49 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.12 127.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.809 0.338 . . . . 0.0 110.707 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 68.1 m -148.72 97.76 2.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.103 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.9 120.25 31.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.758 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 26.9 t -138.2 154.14 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.001 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.44 146.21 41.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.211 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.16 -172.88 0.74 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.056 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.35 160.49 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.59 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t -162.89 143.86 9.73 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.149 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.13 81.12 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.978 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.19 55.6 0.02 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.87 116.55 30.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.697 0.285 . . . . 0.0 110.922 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.55 132.87 43.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.676 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.89 125.44 25.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.635 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m 51.93 34.34 13.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.752 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.525 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.81 0.338 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 95.3 p -78.84 160.58 27.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.26 139.01 28.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.758 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.82 129.04 11.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.582 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.32 -52.77 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.374 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.79 -159.67 0.98 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.138 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.19 53.55 25.35 Favored Glycine 0 C--O 1.223 -0.549 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.259 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.13 -175.93 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.184 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.54 -60.11 0.82 Allowed Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.166 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.6 -70.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.699 0.285 . . . . 0.0 111.165 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 46.5 t -109.52 147.61 32.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -139.32 134.28 32.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.654 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.85 153.01 43.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.58 -167.04 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.42 153.63 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.18 -33.67 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.474 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.98 -169.52 42.52 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.53 135.23 52.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.713 0.292 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 91.6 p -161.77 -169.02 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.942 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.66 115.31 19.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.276 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.45 102.04 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.671 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.61 130.78 53.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.56 -159.19 0.07 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.0 44.33 0.55 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.02 -112.14 0.46 Allowed Glycine 0 C--N 1.337 0.638 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 69.6 p -130.72 123.65 29.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.56 168.86 20.88 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.281 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -134.1 116.12 15.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.736 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.16 162.54 48.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.285 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -27.46 102.44 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.255 0 C-N-CA 124.745 3.63 . . . . 0.0 115.079 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -58.81 112.08 1.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.904 0.383 . . . . 0.0 109.986 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.06 106.11 0.32 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . 0.421 ' OH ' HG21 ' F' ' 78' ' ' THR . 1.6 t80 69.74 92.69 0.08 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 111.275 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.73 -94.17 0.36 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.58 155.34 18.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.967 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . 0.422 HG21 ' OH ' ' H' ' 75' ' ' TYR . 12.7 m -119.76 108.5 14.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.485 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.38 113.36 2.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.11 92.68 0.36 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -58.92 -167.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.76 0.314 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 -46.61 2.47 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.12 127.5 0.02 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.834 0.349 . . . . 0.0 110.562 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.76 97.85 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.099 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.94 120.16 30.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.756 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 26.9 t -138.14 154.13 49.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.46 146.24 41.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.181 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.19 -172.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.029 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.34 160.56 5.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.624 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.91 143.84 9.69 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.186 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.14 81.25 1.59 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.964 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.19 55.53 0.02 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.95 116.63 30.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.72 0.295 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.53 132.84 43.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.705 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.95 125.52 25.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.623 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 72.5 m 51.82 34.39 13.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.736 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.561 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.836 0.35 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 95.2 p -78.87 160.65 27.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.35 139.05 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.663 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.84 129.08 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.581 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.35 -52.74 6.96 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.4 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.85 -159.81 1.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.062 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.4 53.47 24.96 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.248 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.03 -175.84 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.186 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.6 -60.04 0.82 Allowed Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.082 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -151.58 -70.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.752 0.31 . . . . 0.0 111.168 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 46.5 t -109.44 147.6 32.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.44 134.18 31.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.659 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.74 152.94 43.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.454 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.48 -167.09 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.673 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 88.8 p -80.46 153.65 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.27 -33.53 63.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.467 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.07 -169.53 42.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.45 135.3 52.89 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.388 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 92.5 p -161.81 -168.89 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.001 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.81 115.29 19.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.26 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.5 102.01 13.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.8 m -121.71 130.92 53.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.65 -159.16 0.07 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.04 44.44 0.56 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.571 0.212 . . . . 0.0 111.571 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.9 -112.22 0.46 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 69.5 p -130.69 123.53 29.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.44 168.92 20.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.09 0.471 . . . . 0.0 111.282 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -134.19 116.03 14.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.844 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.06 162.44 49.38 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.296 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -27.57 102.55 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.216 0 C-N-CA 124.645 3.563 . . . . 0.0 115.11 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -58.87 112.1 1.53 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.332 0.395 . . . . 0.0 110.011 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.16 106.04 0.33 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . 0.422 ' OH ' HG21 ' G' ' 78' ' ' THR . 1.7 t80 69.85 92.68 0.08 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.892 0.377 . . . . 0.0 111.188 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.74 -94.08 0.36 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 85.7 p -91.5 155.22 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 111.056 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . 0.417 HG21 ' OH ' ' I' ' 75' ' ' TYR . 12.4 m -119.63 108.54 14.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.35 113.37 2.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.1 92.73 0.36 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -59.02 -167.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.532 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.87 -46.5 2.49 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.07 127.55 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.803 0.335 . . . . 0.0 110.639 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 68.3 m -148.72 97.79 2.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.152 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.94 120.18 30.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.726 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 27.0 t -138.2 154.11 49.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 90.5 p -138.45 146.24 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.154 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.15 -172.93 0.75 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.004 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -172.23 160.63 5.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.621 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.91 143.84 9.7 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.202 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.07 81.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.934 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.1 55.58 0.02 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.91 116.64 30.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.742 0.306 . . . . 0.0 110.8 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.58 132.87 43.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.732 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.88 125.42 25.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.636 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 72.8 m 51.85 34.38 13.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.502 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.709 0.29 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 95.0 p -78.84 160.79 27.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.064 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -144.56 138.98 27.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.757 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -150.68 130.19 13.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.547 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -82.78 -52.82 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.065 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 10.9 t -131.82 -159.62 0.98 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.25 53.5 25.4 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.331 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.12 -175.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.057 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.74 -60.08 0.81 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.67 -70.98 0.16 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.707 0.289 . . . . 0.0 111.119 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -109.6 147.11 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.852 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -138.89 134.24 32.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.725 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.77 153.02 43.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.439 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.46 -167.35 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.628 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 89.7 p -80.19 153.7 28.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -74.39 -33.46 63.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.451 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.15 -169.54 42.29 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.47 135.46 53.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.723 0.297 . . . . 0.0 110.281 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 90.0 p -162.04 -169.13 2.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.952 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.68 115.22 19.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.359 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.47 101.97 13.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.685 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -121.29 131.12 54.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.86 -159.03 0.07 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -79.11 45.46 0.63 Allowed 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.873 -0.193 . . . . 0.0 111.394 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.1 -112.02 0.39 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 63.6 p -130.6 123.93 30.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.96 168.95 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.169 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 40.7 t -134.22 115.99 14.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.861 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.69 162.54 50.02 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -28.25 103.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 124.603 3.535 . . . . 0.0 114.74 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -59.05 112.55 1.72 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.857 0.36 . . . . 0.0 110.036 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.19 106.13 0.33 Allowed Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . 0.56 ' HE2' ' HG1' ' I' ' 78' ' ' THR . 1.7 t80 69.86 92.87 0.08 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.673 0.273 . . . . 0.0 111.037 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.75 -93.61 0.37 Allowed Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 85.8 p -91.69 155.41 18.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.832 0.348 . . . . 0.0 110.982 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . 0.56 ' HG1' ' HE2' ' I' ' 75' ' ' TYR . 14.2 m -119.61 108.26 14.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.559 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.99 113.46 2.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.14 92.8 0.36 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -59.0 -167.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.943 0.402 . . . . 0.0 110.468 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.05 -46.32 2.45 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.04 127.63 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.855 0.359 . . . . 0.0 110.53 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -148.86 97.72 2.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.203 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.86 120.17 30.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.73 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -138.24 153.86 49.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 90.1 p -138.23 146.15 42.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.102 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.38 -173.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.962 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -171.26 160.76 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.729 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 30.5 t -162.83 144.04 9.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.848 0.356 . . . . 0.0 111.264 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -146.46 82.36 1.59 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.805 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 162.39 55.53 0.02 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.89 116.4 30.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.53 132.83 43.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.689 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.89 125.49 25.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 72.4 m 51.83 34.48 13.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.742 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.487 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.627 0.251 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -58.18 131.91 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.979 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.6 m -118.01 130.43 56.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.184 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -143.1 121.78 12.57 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.465 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 47' ' ' THR . 1.6 t -86.18 -39.09 17.0 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.975 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -133.64 175.09 9.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.943 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.12 70.12 1.22 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 30.99 71.85 0.07 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.069 0.511 . . . . 0.0 112.305 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.25 94.49 0.12 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.05 91.6 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.3 t -149.43 146.02 27.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.783 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -127.57 121.45 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.618 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -71.77 -29.45 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.29 -161.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -57.94 138.88 55.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.394 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.75 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.78 -179.13 52.79 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.81 95.27 9.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.3 154.95 37.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -50.07 126.2 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -135.25 102.58 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.9 p -100.63 146.26 27.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.1 0.476 . . . . 0.0 110.632 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.12 -160.49 0.55 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.73 -46.16 14.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.965 0.412 . . . . 0.0 110.941 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.82 -102.84 2.41 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.404 HG21 ' HB2' ' A' ' 96' ' ' SER . 24.6 p -112.81 116.63 30.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.144 0.497 . . . . 0.0 110.345 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -169.21 143.86 3.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.973 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.5 m -110.16 127.66 55.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.06 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.38 169.11 16.09 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -49.33 105.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.193 1.928 . . . . 0.0 113.024 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -67.22 112.64 4.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.932 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.04 116.14 0.23 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.0 t80 58.83 87.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.187 0.518 . . . . 0.0 110.88 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.22 88.37 0.77 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.22 125.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.42 ' O ' HG22 ' A' ' 78' ' ' THR . 1.0 OUTLIER -81.22 114.75 20.24 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.21 0.529 . . . . 0.0 109.747 178.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.25 -88.23 0.21 Allowed Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.58 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.18 134.26 10.01 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -81.19 -167.99 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.63 0.253 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.12 -46.07 1.24 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 171.24 131.54 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.732 0.301 . . . . 0.0 110.667 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.39 -71.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.997 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 48.69 70.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.102 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.1 t -135.81 133.2 37.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.879 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.0 m -121.6 151.21 40.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.377 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.38 -173.52 0.65 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.961 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -167.53 160.56 13.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.749 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.7 t -163.82 131.19 3.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.94 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -145.15 92.97 2.32 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 157.62 40.93 0.02 OUTLIER Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.48 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.5 133.72 41.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.681 0.277 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.42 137.29 35.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.913 0.387 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.75 130.08 31.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.166 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.404 ' HB2' HG21 ' A' ' 68' ' ' THR . 47.9 t 58.14 51.43 8.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.492 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.496 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.742 0.306 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.8 m -58.43 131.87 52.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.993 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -117.85 130.66 56.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.215 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -143.33 121.81 12.43 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.403 ' H ' HG22 ' B' ' 47' ' ' THR . 1.7 t -86.49 -39.09 16.62 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.684 -0.407 . . . . 0.0 111.917 -179.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.53 175.48 9.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.952 0.406 . . . . 0.0 110.939 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.62 71.9 0.87 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.24 72.43 0.05 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.69 94.48 0.14 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.25 91.4 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 45.2 t -149.43 145.85 27.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.843 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.7 t -127.6 121.46 30.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.604 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.4 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.29 -161.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -57.98 138.94 55.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.378 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.74 152.81 28.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.82 -179.15 52.79 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.76 95.2 8.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.966 0.412 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 77.6 p -151.32 154.5 36.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.59 126.14 12.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.27 102.36 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.611 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.25 146.61 26.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.709 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.48 -160.4 0.63 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.85 -46.13 15.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.723 0.297 . . . . 0.0 110.748 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.89 -103.19 2.46 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.411 HG21 ' HB2' ' B' ' 96' ' ' SER . 24.8 p -112.29 116.63 30.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.813 0.339 . . . . 0.0 110.417 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.15 143.86 3.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.15 127.67 55.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.091 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.44 169.02 16.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.051 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -49.42 103.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.4 2.067 . . . . 0.0 113.31 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.99 112.82 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.638 0.586 . . . . 0.0 110.338 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.97 116.34 0.23 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 58.72 87.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.737 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.29 88.62 0.78 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.43 124.11 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.426 ' O ' HG22 ' B' ' 78' ' ' THR . 1.0 OUTLIER -79.89 114.72 19.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.186 178.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.99 -88.26 0.2 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.08 134.4 9.73 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -81.36 -168.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.689 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.23 -45.79 1.27 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.18 131.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.736 0.303 . . . . 0.0 110.651 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 43.4 t -98.32 -71.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.073 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.71 70.66 0.44 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.034 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 13.8 t -135.79 133.2 37.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 66.1 m -121.56 151.03 40.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.337 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.28 -173.48 0.66 Allowed 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.09 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 92.5 p -167.47 160.42 13.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.731 0.3 . . . . 0.0 110.747 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 45.8 t -163.77 131.22 3.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.16 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.14 94.29 2.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.77 41.08 0.02 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.55 133.6 41.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 0.0 110.471 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -139.47 137.22 35.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 130.12 31.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.198 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . 0.411 ' HB2' HG21 ' B' ' 68' ' ' THR . 47.6 t 58.16 51.32 8.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.515 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.608 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.71 0.291 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -58.54 131.84 51.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 0.0 110.985 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 91.4 m -117.73 130.58 56.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.251 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -143.3 121.74 12.4 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' THR . . . . . 0.401 ' H ' HG22 ' C' ' 47' ' ' THR . 1.7 t -86.46 -39.16 16.58 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.912 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.48 175.49 9.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.995 0.426 . . . . 0.0 110.829 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.66 71.88 0.88 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.17 72.49 0.05 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.74 94.48 0.14 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 68.23 91.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 45.4 t -149.34 145.84 27.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -127.53 121.44 30.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.634 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.33 64.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.24 -161.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.431 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 69.0 m -57.98 138.96 55.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.395 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.77 28.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.671 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.89 -179.15 52.78 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.72 95.14 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.389 . . . . 0.0 110.804 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.34 154.41 36.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.42 126.12 12.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.745 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.3 102.38 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -100.16 146.54 26.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.755 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.41 -160.34 0.61 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -46.12 15.8 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.689 0.281 . . . . 0.0 110.754 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.92 -103.23 2.46 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.408 HG21 ' HB2' ' C' ' 96' ' ' SER . 25.0 p -112.36 116.61 30.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.745 0.307 . . . . 0.0 110.378 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -169.13 144.01 3.12 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -110.24 127.63 55.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.107 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.39 169.01 16.36 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.033 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.41 102.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.446 2.098 . . . . 0.0 113.304 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.7 112.73 3.35 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.641 0.588 . . . . 0.0 110.407 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.02 116.31 0.23 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 4.5 t80 58.72 87.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.75 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.24 88.63 0.78 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.48 124.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.428 ' O ' HG22 ' C' ' 78' ' ' THR . 1.0 OUTLIER -79.89 114.77 19.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.393 . . . . 0.0 110.262 178.869 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.06 -88.25 0.2 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.08 134.33 9.76 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.421 -0.671 . . . . 0.0 111.421 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -81.24 -168.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.719 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.3 -45.79 1.27 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.15 131.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.747 0.308 . . . . 0.0 110.664 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.36 -71.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.051 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.91 70.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.992 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.71 133.09 37.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.83 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.51 151.03 40.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.388 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.24 -173.51 0.67 Allowed 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.103 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -167.41 160.39 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.759 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 45.5 t -163.75 131.32 3.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.127 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.34 94.5 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.63 41.12 0.02 OUTLIER Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.53 133.56 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 0.0 110.46 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -139.48 137.22 35.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 130.2 31.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.199 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 96' ' ' SER . . . . . 0.408 ' HB2' HG21 ' C' ' 68' ' ' THR . 47.6 t 57.97 51.43 8.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.918 0.389 . . . . 0.0 110.554 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.599 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.658 0.266 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.5 131.9 52.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.853 0.358 . . . . 0.0 110.973 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -117.99 130.34 56.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.276 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.09 121.9 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.66 -39.06 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.965 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.53 175.52 9.35 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.918 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 49' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 67.65 71.85 0.88 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 50' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' D' ' 49' ' ' GLY . 13.1 m-85 29.24 72.72 0.05 Allowed 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.96 94.47 0.14 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 68.25 91.26 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.833 0.349 . . . . 0.0 110.087 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 45.7 t -149.37 145.9 27.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -127.51 121.46 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.648 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -71.73 -29.34 64.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.17 -161.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.412 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -57.79 138.93 55.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.392 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.86 152.78 28.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.601 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.91 -179.15 52.78 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.69 95.14 8.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 110.821 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.26 154.4 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.46 126.1 12.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.672 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.23 102.44 5.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.53 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 81.4 p -100.49 146.47 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.818 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.32 -160.31 0.58 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -45.69 16.26 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.721 0.296 . . . . 0.0 110.776 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.42 -103.01 2.47 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 68' ' ' THR . . . . . 0.409 HG21 ' HB2' ' D' ' 96' ' ' SER . 25.2 p -112.39 116.52 30.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.655 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.06 144.07 3.17 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.891 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -110.26 127.76 55.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.118 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.52 169.04 16.14 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -49.44 102.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.405 2.07 . . . . 0.0 113.355 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.68 112.64 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.668 0.605 . . . . 0.0 110.41 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.01 116.2 0.23 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 58.85 87.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.898 0.38 . . . . 0.0 110.816 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.21 88.62 0.79 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.77 124.1 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 78' ' ' THR . . . . . 0.428 ' O ' HG22 ' D' ' 78' ' ' THR . 1.0 OUTLIER -80.0 114.76 19.15 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.35 178.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.07 -88.3 0.2 Allowed Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.11 134.4 9.8 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.23 -168.03 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.765 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.19 -45.75 1.28 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.24 131.59 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.674 0.273 . . . . 0.0 110.656 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 43.3 t -98.27 -71.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.049 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 48.83 70.53 0.45 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.048 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.72 133.21 37.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.756 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.56 150.99 40.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.23 -173.63 0.68 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.106 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 92.5 p -167.32 160.4 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.74 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 45.8 t -163.78 131.2 3.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.115 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.32 94.65 2.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.57 41.2 0.02 OUTLIER Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.474 -0.651 . . . . 0.0 111.474 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.55 133.59 41.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.474 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.46 137.23 35.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.65 130.2 31.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.272 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 96' ' ' SER . . . . . 0.409 ' HB2' HG21 ' D' ' 68' ' ' THR . 47.8 t 57.99 51.4 8.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.591 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.531 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.676 0.274 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.41 131.9 52.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.927 0.394 . . . . 0.0 110.984 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 91.1 m -117.99 130.7 56.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.198 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 46' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' F' ' 46' ' ' ASP . 15.7 m-20 -143.6 122.57 12.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.106 0.955 . . . . 0.0 111.036 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -88.86 -38.94 14.19 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.076 -1.015 . . . . 0.0 111.34 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -130.86 175.53 8.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.811 0.339 . . . . 0.0 111.477 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 49' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 68.93 70.91 1.05 Allowed Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.222 177.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 50' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' E' ' 49' ' ' GLY . 14.0 m-85 26.65 76.88 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.087 0.555 . . . . 0.0 111.356 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.24 92.26 0.14 Allowed Glycine 0 CA--C 1.518 0.238 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 69.08 91.54 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.919 0.39 . . . . 0.0 110.007 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 45.5 t -149.44 145.91 27.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -127.35 121.82 32.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.489 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -71.96 -29.42 64.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.678 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.31 -161.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.387 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -58.04 138.93 55.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.84 152.73 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.703 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.84 -179.06 52.76 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.82 95.2 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 110.796 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -151.35 154.43 36.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.57 125.94 12.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.695 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -135.01 101.99 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.727 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -99.98 146.35 26.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.546 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.61 -161.99 0.59 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.56 -47.2 10.24 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.715 0.293 . . . . 0.0 110.62 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.52 -103.08 2.38 Favored Glycine 0 N--CA 1.464 0.54 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 68' ' ' THR . . . . . 0.407 HG21 ' HB2' ' E' ' 96' ' ' SER . 25.0 p -112.53 115.89 29.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.895 0.409 . . . . 0.0 110.409 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.3 144.63 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.801 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 73.6 m -110.62 128.46 55.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.972 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.92 168.68 17.14 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.117 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 72' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' F' ' 73' ' ' GLN . 61.0 Cg_exo -51.11 107.9 0.2 Allowed 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 121.059 1.173 . . . . 0.0 112.102 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -67.74 114.19 6.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.878 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.71 115.03 0.21 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 60.67 85.99 0.11 Allowed 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.787 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -99.84 91.87 1.07 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.788 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 2.4 p 61.22 125.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.912 0.387 . . . . 0.0 111.898 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 78' ' ' THR . . . . . 0.431 ' O ' HG22 ' E' ' 78' ' ' THR . 1.0 OUTLIER -80.6 113.93 19.13 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.144 0.497 . . . . 0.0 109.915 178.785 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.99 -88.97 0.16 Allowed Glycine 0 CA--C 1.543 1.826 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.312 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -45.14 133.93 7.85 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -80.96 -167.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.69 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.9 -43.46 1.67 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 169.08 132.06 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.989 0.423 . . . . 0.0 110.346 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 43.0 t -98.48 -71.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.676 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 48.89 70.75 0.43 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.57 132.87 37.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.724 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.48 151.04 40.71 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.421 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.27 -173.64 0.67 Allowed 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 121.397 0.618 . . . . 0.0 111.049 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -166.69 160.65 15.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.821 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 46.0 t -162.88 131.28 3.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.409 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -144.81 93.71 2.44 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.173 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.76 41.75 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.33 133.44 40.7 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.969 -0.136 . . . . 0.0 110.804 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.56 137.21 35.22 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.853 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.41 130.3 32.49 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.801 0.688 . . . . 0.0 110.005 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 96' ' ' SER . . . . . 0.407 ' HB2' HG21 ' E' ' 68' ' ' THR . 47.4 t 58.19 51.38 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.56 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.714 0.292 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.47 131.95 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.958 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -117.85 130.67 56.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.18 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 46' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' E' ' 46' ' ' ASP . 14.6 m-20 -143.4 121.89 12.44 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.43 -39.3 16.49 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.922 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.4 175.59 9.28 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.881 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.55 72.04 0.85 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 28.88 72.63 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.83 94.36 0.14 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.27 91.38 0.09 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.831 0.348 . . . . 0.0 110.063 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 45.6 t -149.45 145.83 27.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.846 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.9 t -127.54 121.42 30.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.658 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -71.77 -29.35 64.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.3 -161.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.44 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.0 m -57.85 138.88 55.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.416 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.8 152.72 28.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.652 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.85 -179.05 52.75 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.78 95.14 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.383 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 77.6 p -151.31 154.27 36.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.44 126.19 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.68 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.4 102.46 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 81.4 p -100.06 146.82 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.955 0.407 . . . . 0.0 110.497 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.63 -160.1 0.64 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.99 -46.41 16.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.68 0.276 . . . . 0.0 110.766 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.13 -103.3 2.45 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 68' ' ' THR . . . . . 0.407 HG21 ' HB2' ' F' ' 96' ' ' SER . 25.0 p -112.2 117.0 31.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 110.312 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.38 144.05 2.98 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.32 127.62 55.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.12 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.43 169.02 16.29 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.013 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.41 102.83 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.435 2.09 . . . . 0.0 113.351 -178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 73' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' E' ' 72' ' ' PRO . 7.4 mp0 -64.57 112.68 3.27 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.76 0.663 . . . . 0.0 110.491 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.9 116.54 0.23 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 4.5 t80 58.9 87.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.769 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.22 88.68 0.79 Allowed Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.42 124.03 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 78' ' ' THR . . . . . 0.431 ' O ' HG22 ' F' ' 78' ' ' THR . 1.0 OUTLIER -79.94 114.84 19.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.977 0.418 . . . . 0.0 110.237 178.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.93 -88.25 0.2 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.07 134.33 9.74 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.27 -168.21 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.362 . . . . 0.0 110.679 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.38 -45.8 1.27 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.16 131.6 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.781 0.324 . . . . 0.0 110.637 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 43.4 t -98.27 -71.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.063 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.83 70.57 0.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.019 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.71 133.22 37.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.798 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -121.59 151.08 40.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.23 -173.57 0.67 Allowed 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.142 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -167.49 160.38 13.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.745 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 45.2 t -163.81 131.27 3.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.15 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.08 94.77 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.016 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.39 41.1 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.45 133.44 42.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.678 0.275 . . . . 0.0 110.482 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.37 137.19 35.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.956 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.69 130.17 31.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.146 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 96' ' ' SER . . . . . 0.407 ' HB2' HG21 ' F' ' 68' ' ' THR . 47.7 t 58.06 51.41 8.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.449 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.581 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.63 0.252 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.32 131.91 52.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.055 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -117.88 130.61 56.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.183 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.39 121.84 12.41 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.6 -39.11 16.46 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.891 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.5 175.5 9.37 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.909 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.61 71.88 0.88 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.17 72.56 0.05 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.81 94.38 0.14 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 68.34 91.32 0.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 45.7 t -149.39 145.94 27.23 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.778 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.9 t -127.61 121.43 30.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -71.75 -29.38 64.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.3 -161.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.392 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.1 m -57.9 138.93 55.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.433 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.85 152.72 28.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.652 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.84 -179.02 52.74 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.86 95.19 8.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.793 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -151.35 154.32 36.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.43 126.14 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.675 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -135.3 102.47 5.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.485 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.25 146.64 26.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.665 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.55 -160.17 0.63 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.96 -46.07 16.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.719 0.295 . . . . 0.0 110.797 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.84 -103.23 2.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 68' ' ' THR . . . . . 0.408 HG21 ' HB2' ' G' ' 96' ' ' SER . 25.3 p -112.29 116.78 30.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 110.353 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.22 144.06 3.08 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 73.4 m -110.35 127.65 55.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.064 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 71' ' ' THR . . . . . 0.423 ' HA ' ' HG1' ' H' ' 71' ' ' THR . 0.0 OUTLIER -86.49 168.96 16.46 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.012 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.24 102.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.427 2.084 . . . . 0.0 113.311 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.69 112.77 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.649 0.593 . . . . 0.0 110.407 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.11 116.31 0.24 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 4.5 t80 58.8 87.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.26 88.53 0.78 Allowed Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.7 123.97 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 78' ' ' THR . . . . . 0.433 ' O ' HG22 ' G' ' 78' ' ' THR . 1.0 OUTLIER -79.88 114.7 18.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.882 0.373 . . . . 0.0 110.225 178.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.92 -88.2 0.2 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.05 134.37 9.68 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -81.28 -168.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.684 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.32 -45.71 1.28 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.09 131.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.792 0.329 . . . . 0.0 110.613 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 43.1 t -98.42 -71.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.016 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 48.75 70.57 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.054 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.73 133.13 37.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.795 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 66.1 m -121.45 151.06 40.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.27 -173.49 0.66 Allowed 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.013 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -167.46 160.35 13.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.737 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 45.1 t -163.67 131.26 3.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.155 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.21 94.76 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.43 41.15 0.02 OUTLIER Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.53 133.6 41.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 110.436 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.48 137.23 35.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.65 130.11 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.301 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 96' ' ' SER . . . . . 0.408 ' HB2' HG21 ' G' ' 68' ' ' THR . 47.5 t 58.2 51.28 8.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.538 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.529 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.701 0.286 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.41 131.87 51.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 111.011 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -117.89 130.6 56.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.258 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.29 121.96 12.57 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.67 -39.16 16.32 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.855 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.52 175.42 9.44 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.907 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.73 71.9 0.87 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 29.07 72.54 0.05 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.67 94.41 0.13 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 68.19 91.29 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.862 0.363 . . . . 0.0 110.036 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 45.8 t -149.25 145.93 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.821 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -127.62 121.38 30.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.639 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.36 64.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 10.0 t 51.29 -161.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.385 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -57.97 138.99 55.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.82 152.8 28.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.626 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.98 -179.0 52.71 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.84 95.15 8.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.974 0.416 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 77.8 p -151.29 154.35 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.46 126.1 12.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.688 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.24 102.35 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.602 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.13 146.72 26.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.732 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.65 -160.21 0.66 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -46.09 15.75 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.67 0.271 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.89 -103.32 2.48 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 68' ' ' THR . . . . . 0.405 HG21 ' HB2' ' H' ' 96' ' ' SER . 25.2 p -112.27 116.81 31.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.744 0.307 . . . . 0.0 110.438 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -169.24 144.0 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.25 127.58 55.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.116 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 71' ' ' THR . . . . . 0.423 ' HG1' ' HA ' ' G' ' 71' ' ' THR . 0.0 OUTLIER -86.37 168.95 16.6 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.065 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -49.42 102.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.435 2.09 . . . . 0.0 113.297 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.55 112.76 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.755 0.659 . . . . 0.0 110.463 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.05 116.32 0.23 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 4.4 t80 58.99 87.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 0.0 110.664 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.25 88.62 0.78 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.58 123.98 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 78' ' ' THR . . . . . 0.435 ' O ' HG22 ' H' ' 78' ' ' THR . 1.0 OUTLIER -79.8 114.79 18.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 110.257 178.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.94 -88.24 0.2 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.17 134.37 9.93 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -81.2 -168.1 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.769 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.19 -45.77 1.27 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.21 131.68 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.736 0.303 . . . . 0.0 110.688 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.42 -71.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.999 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.73 70.57 0.45 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 13.8 t -135.71 133.16 37.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.764 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -121.49 151.08 40.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.42 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.32 -173.6 0.66 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.057 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 92.9 p -167.4 160.45 13.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.768 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 45.2 t -163.76 131.19 3.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.15 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.25 95.01 2.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.995 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.32 41.18 0.02 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.56 133.64 41.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 0.0 110.415 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.53 137.22 35.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.76 130.14 31.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.178 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 96' ' ' SER . . . . . 0.405 ' HB2' HG21 ' H' ' 68' ' ' THR . 47.6 t 58.07 51.39 8.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.522 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.571 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.679 0.276 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.37 132.16 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.949 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 89.8 m -118.25 130.68 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.24 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -143.06 123.66 14.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.722 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -88.65 -39.19 14.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.465 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.56 175.41 9.45 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.828 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 67.73 72.01 0.86 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' I' ' 49' ' ' GLY . 13.1 m-85 28.96 73.93 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.88 94.36 0.17 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 68.05 90.97 0.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.819 0.343 . . . . 0.0 110.143 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -149.0 145.93 27.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.861 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -127.62 121.54 30.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -71.76 -29.49 64.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.572 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 10.0 t 51.34 -161.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.416 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -57.98 138.93 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.354 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.78 28.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.697 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.83 -178.97 52.71 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.84 94.99 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 78.2 p -151.12 154.36 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.6 126.22 13.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.42 102.4 5.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.492 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 81.9 p -99.91 147.06 25.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.99 -159.97 0.72 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.31 -45.85 17.73 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.431 0.158 . . . . 0.0 110.636 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.82 -103.47 2.51 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 68' ' ' THR . . . . . 0.405 HG21 ' HB2' ' I' ' 96' ' ' SER . 26.5 p -112.09 116.63 30.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.05 144.12 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.687 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -110.23 127.74 55.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.089 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 169.09 16.07 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.904 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -49.5 102.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.59 2.194 . . . . 0.0 112.984 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -64.56 113.11 3.49 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.561 0.538 . . . . 0.0 110.505 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.12 116.56 0.24 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 4.3 t80 58.68 88.33 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.505 0.193 . . . . 0.0 110.562 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.28 89.4 0.83 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 62.84 123.98 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 78' ' ' THR . . . . . 0.444 ' O ' HG22 ' I' ' 78' ' ' THR . 1.0 OUTLIER -79.66 114.72 18.8 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.334 179.134 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.73 -88.03 0.2 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.678 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.2 134.65 9.85 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.44 -168.15 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.453 . . . . 0.0 110.631 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.29 -45.42 1.32 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.04 131.75 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.766 0.317 . . . . 0.0 110.598 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 43.1 t -98.36 -71.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.101 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.79 70.56 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.968 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.65 133.13 37.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.795 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 65.9 m -121.36 151.03 40.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.5 -174.28 0.7 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.048 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 93.2 p -166.67 160.54 15.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.833 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 45.4 t -163.61 131.79 3.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 111.137 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -145.85 96.18 2.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.783 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 155.4 41.32 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.51 133.34 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.726 0.298 . . . . 0.0 110.551 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.5 137.19 35.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.847 0.356 . . . . 0.0 110.929 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.72 130.15 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.138 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 96' ' ' SER . . . . . 0.405 ' HB2' HG21 ' I' ' 68' ' ' THR . 47.4 t 58.13 51.29 8.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.572 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.619 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.45 ' N ' ' HG ' ' B' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.32 136.22 48.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.607 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.7 m 53.95 95.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.883 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.04 129.3 6.95 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -135.34 147.45 49.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.839 0.352 . . . . 0.0 110.678 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.3 m 50.12 42.79 25.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.636 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -88.57 107.27 18.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -141.12 115.05 9.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.742 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -118.46 127.77 53.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -148.06 124.34 10.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.105 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.19 -54.32 8.76 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.37 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.3 t -132.61 -171.48 2.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.11 68.13 1.77 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 30.15 77.84 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.214 0.596 . . . . 0.0 111.753 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.02 -62.99 3.84 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -139.05 80.42 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.833 0.349 . . . . 0.0 110.209 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.6 t -138.85 128.24 24.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.93 166.49 21.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.85 49.32 12.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.732 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.05 -39.35 89.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.399 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.8 p -151.0 159.62 44.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.521 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -142.35 128.69 19.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.92 -152.18 48.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -50.36 115.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.382 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.84 153.52 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.769 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -100.0 107.96 20.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.285 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.76 104.61 16.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.752 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 95.5 m -119.65 127.83 53.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.463 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.64 -164.77 0.46 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.78 -53.9 22.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 111.097 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.11 -93.87 0.87 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.436 HG22 ' HB2' ' A' ' 96' ' ' SER . 19.2 p -115.06 113.21 23.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.011 0.434 . . . . 0.0 110.396 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.46 143.12 3.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.072 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -107.97 124.08 49.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.415 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.4 HG22 ' CD ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -83.58 174.28 6.19 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.892 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.4 ' CD ' HG22 ' A' ' 71' ' ' THR . 76.2 Cg_exo -47.98 178.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.732 2.288 . . . . 0.0 113.818 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -150.39 111.72 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.285 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 113.83 -85.84 0.4 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.05 50.11 0.87 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.626 0.727 . . . . 0.0 110.809 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.13 127.79 44.14 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.48 91.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.711 0.291 . . . . 0.0 110.599 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.6 m -80.54 102.99 10.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.041 0.448 . . . . 0.0 110.346 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.16 -147.27 13.7 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.16 71.63 0.58 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -51.99 140.2 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.734 0.302 . . . . 0.0 110.974 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.59 -47.35 0.65 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.33 130.26 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.687 0.279 . . . . 0.0 110.265 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -133.95 94.2 3.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.458 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.74 99.22 7.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.279 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -147.12 -177.76 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.031 0.443 . . . . 0.0 111.324 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.5 t -155.98 135.26 12.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.75 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.39 -177.91 6.89 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.215 -179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.3 p -171.19 165.62 7.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t -163.43 128.71 3.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.663 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -141.34 86.79 2.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.007 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 151.05 48.31 0.02 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.46 133.24 42.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.714 0.292 . . . . 0.0 110.605 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.21 139.22 33.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.2 m -130.06 114.62 16.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.43 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.436 ' HB2' HG22 ' A' ' 68' ' ' THR . 5.8 t 65.19 85.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.618 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.616 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.45 ' HG ' ' N ' ' A' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.2 136.23 48.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.683 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.3 m 53.9 95.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.05 129.31 6.95 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -135.27 147.58 49.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.0 m 50.0 42.73 25.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.679 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.5 107.18 18.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.95 115.04 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.822 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -118.38 127.79 54.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.668 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.07 124.38 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.335 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.38 -54.62 7.88 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.269 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.3 -171.23 2.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.962 0.41 . . . . 0.0 110.87 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 65.81 69.31 1.38 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' B' ' 49' ' ' GLY . 88.0 m-85 28.74 78.33 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 O-C-N 124.12 0.541 . . . . 0.0 111.854 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.38 -62.98 3.99 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -139.02 80.37 1.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.894 0.378 . . . . 0.0 110.24 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 20.7 t -138.95 127.66 23.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 61.1 m -131.34 166.59 20.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 57.95 49.24 12.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.734 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -60.96 -39.42 89.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.425 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -150.9 159.7 44.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -142.45 128.68 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.586 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.85 -152.38 48.48 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.0 115.05 1.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.383 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p 175.82 153.22 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.885 0.374 . . . . 0.0 110.838 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.71 107.98 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.389 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.82 104.63 16.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.722 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 96.6 m -119.5 127.97 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.406 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.87 -164.59 0.48 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -53.92 22.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.723 0.297 . . . . 0.0 110.984 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.22 -94.1 0.89 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.437 HG22 ' HB2' ' B' ' 96' ' ' SER . 19.6 p -114.83 113.3 24.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.776 0.322 . . . . 0.0 110.359 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.53 142.82 3.25 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.11 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.1 m -107.61 124.0 49.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.408 HG22 ' CD ' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -83.27 174.41 6.04 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.805 179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.408 ' CD ' HG22 ' B' ' 71' ' ' THR . 76.5 Cg_exo -47.68 -179.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.786 2.324 . . . . 0.0 113.742 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.04 110.95 3.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.237 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.65 -85.72 0.4 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.74 49.38 0.9 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.405 0.622 . . . . 0.0 110.782 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.29 128.08 43.3 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 91.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.743 0.306 . . . . 0.0 110.664 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.41 102.88 9.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.398 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.12 -146.67 13.23 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.99 71.63 0.57 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.09 140.38 20.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.921 0.391 . . . . 0.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.52 -47.24 0.66 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.26 130.36 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.686 0.279 . . . . 0.0 110.251 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.02 94.26 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.68 98.75 6.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.59 -177.62 5.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 0.0 111.379 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -155.93 135.13 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.873 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.26 -177.77 6.8 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.468 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 87.6 p -171.28 165.56 7.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -163.39 128.87 3.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.761 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.56 88.17 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.13 48.28 0.02 OUTLIER Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.4 133.16 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.713 0.292 . . . . 0.0 110.584 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.31 139.24 33.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.839 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -130.13 114.55 15.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.369 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . 0.437 ' HB2' HG22 ' B' ' 68' ' ' THR . 5.9 t 65.37 85.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.622 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.627 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' B' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.26 136.32 48.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.641 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 48.9 m 53.8 95.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.11 129.29 6.93 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -135.29 147.6 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.674 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 49.7 m 49.98 42.74 24.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.69 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.53 107.23 18.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.481 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.91 114.93 9.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.758 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -118.3 127.74 54.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.697 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.0 124.35 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.425 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.29 -54.67 7.82 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.39 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.26 -171.17 2.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.983 0.421 . . . . 0.0 110.905 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 65.73 69.4 1.36 Allowed Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' C' ' 49' ' ' GLY . 87.9 m-85 28.73 78.34 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.104 0.532 . . . . 0.0 111.851 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.43 -63.0 3.99 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -139.01 80.26 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.829 0.347 . . . . 0.0 110.176 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 20.8 t -138.85 127.58 23.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 61.5 m -131.31 166.58 20.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.96 49.31 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.78 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.07 -39.36 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 91.2 p -150.93 159.63 44.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.572 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -142.41 128.73 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.618 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.72 -152.36 48.23 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.96 115.02 1.23 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.44 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 4.6 p 175.87 153.25 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.905 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.72 107.96 20.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.331 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.76 104.6 16.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 96.8 m -119.45 128.05 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.394 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.91 -164.59 0.48 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -53.98 22.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.589 0.233 . . . . 0.0 110.9 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.29 -94.1 0.88 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.437 HG22 ' HB2' ' C' ' 96' ' ' SER . 19.4 p -114.81 113.36 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.361 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.52 142.75 3.24 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.073 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 67.3 m -107.51 123.97 49.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.416 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.408 HG22 ' CD ' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -83.26 174.48 5.94 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.822 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . 0.408 ' CD ' HG22 ' C' ' 71' ' ' THR . 76.3 Cg_exo -47.7 -179.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.804 2.336 . . . . 0.0 113.682 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.15 110.99 3.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.184 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.75 -85.69 0.4 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.83 49.39 0.9 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.401 0.619 . . . . 0.0 110.782 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.29 128.12 43.42 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.2 91.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.777 0.323 . . . . 0.0 110.605 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.45 103.0 10.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.399 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.13 -146.72 13.25 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.396 -1.081 . . . . 0.0 110.396 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.0 71.61 0.58 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -51.97 140.43 20.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.929 0.395 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.47 -47.24 0.66 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.24 130.33 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.711 0.291 . . . . 0.0 110.268 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.94 94.25 3.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.472 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.65 98.61 6.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.342 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.48 -177.61 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.41 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -155.93 135.15 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.818 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.26 -177.89 6.89 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.463 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 87.3 p -171.21 165.53 7.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.87 0.367 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.28 128.9 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.741 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.62 88.39 2.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.96 48.37 0.02 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.44 133.14 42.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.312 . . . . 0.0 110.59 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.27 139.28 33.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.16 114.58 15.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.379 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . 0.437 ' HB2' HG22 ' C' ' 68' ' ' THR . 5.9 t 65.27 86.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.56 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' C' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.2 136.19 48.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.695 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m 53.97 95.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.09 129.27 6.93 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -135.17 147.63 49.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.773 0.321 . . . . 0.0 110.638 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 49.6 m 49.96 42.78 24.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.48 107.17 18.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.502 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 45.7 t -140.89 115.09 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m -118.53 127.66 53.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.759 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -147.93 124.34 10.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.421 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.46 -54.39 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.334 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.48 -171.19 2.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.96 0.41 . . . . 0.0 110.9 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 65.8 69.39 1.36 Allowed Glycine 0 CA--C 1.521 0.435 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' D' ' 49' ' ' GLY . 87.8 m-85 28.77 78.53 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.14 0.553 . . . . 0.0 111.645 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.57 -62.98 4.06 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -138.96 80.31 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.846 0.355 . . . . 0.0 110.226 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 21.6 t -138.96 127.62 23.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.951 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.26 166.64 20.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 57.9 49.34 12.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.725 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -61.04 -39.4 89.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.353 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 91.3 p -150.91 159.65 44.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.47 128.66 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.75 -152.36 48.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.95 115.08 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.376 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.76 153.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.872 0.367 . . . . 0.0 110.915 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -99.68 107.92 20.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.309 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.73 104.62 16.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.726 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -119.71 127.83 53.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.6 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.62 -164.56 0.44 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -53.46 27.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.581 0.229 . . . . 0.0 111.003 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.8 -93.96 0.89 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . 0.433 HG22 ' HB2' ' D' ' 96' ' ' SER . 19.3 p -114.83 113.1 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.631 0.253 . . . . 0.0 110.681 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.43 142.91 3.34 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.11 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 66.6 m -107.53 124.02 49.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.429 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . 0.408 HG22 ' CD ' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -83.36 174.5 5.9 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.81 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . 0.408 ' CD ' HG22 ' D' ' 71' ' ' THR . 77.0 Cg_exo -47.7 -179.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.787 2.325 . . . . 0.0 113.715 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . 0.402 ' H ' ' H ' ' E' ' 74' ' ' GLY . 0.6 OUTLIER -152.1 110.93 3.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.308 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.66 -85.58 0.39 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.97 49.44 0.9 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.424 0.631 . . . . 0.0 110.769 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.32 128.1 43.41 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t 50.38 91.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 110.569 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.35 102.77 9.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.13 -146.76 13.29 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 71.73 0.56 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.13 140.44 20.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.46 -47.17 0.66 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.24 130.37 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.725 0.298 . . . . 0.0 110.227 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.0 94.13 3.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.61 98.7 6.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.373 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.53 -177.72 5.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.98 0.419 . . . . 0.0 111.39 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.9 135.09 12.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.855 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.26 -177.92 6.9 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.443 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.09 165.51 7.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.835 0.35 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.32 128.76 3.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.64 88.42 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.0 48.52 0.02 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -97.42 133.14 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.66 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.3 139.21 33.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -130.04 114.53 15.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.446 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . 0.433 ' HB2' HG22 ' D' ' 68' ' ' THR . 5.9 t 65.38 85.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.63 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.615 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' D' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.27 136.29 48.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.734 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 48.7 m 53.71 95.82 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.227 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.36 129.44 6.93 Favored Glycine 0 C--N 1.337 0.596 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -135.33 147.59 49.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.675 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 49.7 m 49.98 42.76 24.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.723 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.52 106.94 18.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.485 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 46.0 t -140.49 115.04 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -118.46 127.92 54.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 110.651 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -148.18 125.18 11.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -77.07 -50.84 12.17 Favored 'General case' 0 C--O 1.228 -0.048 0 C-N-CA 118.955 -1.098 . . . . 0.0 111.757 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 8.8 t -130.99 -171.07 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.098 0.475 . . . . 0.0 111.441 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 65.97 70.11 1.18 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 177.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' E' ' 49' ' ' GLY . 87.8 m-85 26.21 81.33 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 O-C-N 124.669 0.864 . . . . 0.0 110.841 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.15 -64.56 3.24 Favored Glycine 0 CA--C 1.518 0.232 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -138.42 81.83 1.87 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.01 0.434 . . . . 0.0 110.002 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 21.5 t -139.73 127.66 22.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.587 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -131.38 166.72 20.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.21 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 57.8 49.13 12.62 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.711 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 72.9 m -60.98 -39.35 89.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.423 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 91.3 p -150.94 159.62 44.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.41 128.66 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.59 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.82 -152.32 48.48 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.06 115.06 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.78 153.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.368 . . . . 0.0 110.872 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.73 107.85 20.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.348 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.66 104.5 16.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.817 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -119.48 127.99 53.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.295 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.43 -164.81 0.43 Allowed Glycine 0 CA--C 1.524 0.607 0 O-C-N 123.892 0.745 . . . . 0.0 111.266 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.7 -54.59 17.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.649 0.261 . . . . 0.0 110.75 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.63 -94.3 0.88 Allowed Glycine 0 N--CA 1.462 0.403 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . 0.434 HG22 ' HB2' ' E' ' 96' ' ' SER . 19.4 p -114.84 113.15 23.83 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.114 0.538 . . . . 0.0 110.257 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -168.32 143.54 3.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.002 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 69.4 m -108.34 125.54 51.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 119.009 -0.52 . . . . 0.0 110.165 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . 0.4 HG22 ' CD ' ' E' ' 72' ' ' PRO . 0.0 OUTLIER -84.65 174.44 5.8 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 125.06 1.475 . . . . 0.0 109.265 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . 0.404 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 75.8 Cg_exo -47.84 -179.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 122.782 2.321 . . . . 0.0 113.583 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -151.83 114.12 4.53 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.619 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . 0.402 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 113.0 -86.62 0.43 Allowed Glycine 0 CA--C 1.534 1.278 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.1 48.94 0.9 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.294 0.569 . . . . 0.0 111.038 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.09 128.05 42.86 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t 49.79 92.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.366 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 6.9 m -81.04 103.56 10.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.229 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.44 -146.79 13.07 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.66 72.3 0.47 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -52.71 139.96 24.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.004 0.43 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.84 -44.77 0.73 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 169.02 130.75 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.875 0.369 . . . . 0.0 110.061 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.26 93.61 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.65 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.05 97.77 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.359 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.16 -177.88 5.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.002 0.43 . . . . 0.0 111.353 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -155.81 135.05 12.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.854 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.39 -178.24 7.13 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.475 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 88.3 p -170.12 165.77 9.17 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -162.81 128.99 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.34 88.07 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.764 0.316 . . . . 0.0 110.799 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 150.12 48.85 0.02 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -96.3 132.86 41.34 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.467 -0.093 . . . . 0.0 110.875 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.19 139.4 33.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.9 m -129.93 114.49 15.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.261 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . 0.434 ' HB2' HG22 ' E' ' 68' ' ' THR . 5.9 t 65.29 86.11 0.13 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.727 0.642 . . . . 0.0 110.657 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.543 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . 0.45 ' N ' ' HG ' ' G' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.22 136.27 48.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.698 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 49.8 m 53.94 95.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.11 129.37 6.97 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -135.35 147.62 49.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 110.741 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 49.7 m 49.98 42.74 24.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.73 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.6 107.18 18.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.502 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 45.4 t -140.94 115.03 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -118.37 127.94 54.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.651 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -148.1 124.5 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.405 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.3 -54.77 7.55 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.31 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.23 -171.25 2.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.986 0.422 . . . . 0.0 110.858 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 65.8 69.55 1.32 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' F' ' 49' ' ' GLY . 87.9 m-85 28.5 78.3 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.123 0.543 . . . . 0.0 111.919 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.3 -63.1 3.89 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -138.99 80.39 1.78 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.829 0.347 . . . . 0.0 110.196 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 21.3 t -138.98 127.52 23.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 61.4 m -131.26 166.61 20.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 57.95 49.23 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.763 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 72.8 m -60.98 -39.4 89.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.413 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 91.0 p -150.91 159.72 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -142.45 128.64 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.619 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.83 -152.36 48.47 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -49.95 114.97 1.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.86 153.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.369 . . . . 0.0 110.877 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.71 108.02 20.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.301 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.88 104.52 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -119.31 128.33 54.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.21 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -164.42 0.51 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.85 -54.42 19.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.636 0.255 . . . . 0.0 110.89 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.56 -94.22 0.88 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . 0.436 HG22 ' HB2' ' F' ' 96' ' ' SER . 19.5 p -114.65 113.52 24.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.65 142.78 3.17 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 67.0 m -107.51 124.04 49.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.461 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . 0.407 HG22 ' CD ' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -83.34 174.54 5.85 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.804 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . 0.407 ' CD ' HG22 ' F' ' 71' ' ' THR . 76.3 Cg_exo -47.7 -179.67 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.77 2.313 . . . . 0.0 113.682 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.07 110.87 3.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.281 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.71 -85.72 0.4 Allowed Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.53 49.1 0.91 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.347 0.594 . . . . 0.0 110.804 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.16 128.2 43.36 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.08 91.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.79 0.329 . . . . 0.0 110.628 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 6.7 m -80.39 102.95 9.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.14 -146.76 13.28 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.13 71.61 0.58 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -52.02 140.39 20.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.921 0.391 . . . . 0.0 110.951 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.49 -47.18 0.66 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.26 130.34 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -133.94 94.21 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.521 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.62 98.69 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.4 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.5 -177.54 5.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 0.0 111.398 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -155.99 135.13 12.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.833 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.23 -177.83 6.84 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.531 -179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.26 165.52 7.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.877 0.37 . . . . 0.0 110.97 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.4 128.87 3.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.787 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.44 88.42 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.91 48.42 0.02 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.41 133.08 42.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.24 139.24 33.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.7 m -130.1 114.54 15.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.386 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . 0.436 ' HB2' HG22 ' F' ' 68' ' ' THR . 5.9 t 65.32 85.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.642 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 17.2 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.562 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . 0.451 ' N ' ' HG ' ' H' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.14 136.3 48.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.678 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m 53.89 95.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.882 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.13 129.28 6.93 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -135.22 147.57 49.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.674 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 49.3 m 50.02 42.74 25.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.683 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.53 107.19 18.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.511 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 45.6 t -140.89 115.0 9.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -118.37 127.75 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.703 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.02 124.35 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.382 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -73.33 -54.64 7.87 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.363 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.35 -171.22 2.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.974 0.416 . . . . 0.0 110.861 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 65.76 69.29 1.39 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' G' ' 49' ' ' GLY . 87.9 m-85 28.85 78.31 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 O-C-N 124.119 0.541 . . . . 0.0 111.887 179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.41 -63.0 3.98 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -139.02 80.34 1.78 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.842 0.353 . . . . 0.0 110.198 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 20.5 t -138.91 127.66 23.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.905 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -131.34 166.59 20.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.508 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 57.88 49.33 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.724 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 73.1 m -60.99 -39.34 89.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.488 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 91.2 p -150.96 159.66 44.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.579 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -142.44 128.65 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.83 -152.38 48.45 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.02 115.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.431 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.9 153.23 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.895 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.71 107.94 20.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.312 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.72 104.6 16.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.774 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 96.3 m -119.39 127.99 53.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.493 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.84 -164.56 0.47 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -53.98 23.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.624 0.25 . . . . 0.0 110.902 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.31 -94.06 0.88 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . 0.432 HG22 ' HB2' ' G' ' 96' ' ' SER . 19.5 p -114.92 113.36 24.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 0.0 110.38 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.56 142.81 3.23 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.086 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -107.53 124.02 49.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.397 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . 0.408 HG22 ' CD ' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -83.32 174.51 5.9 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.787 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . 0.408 ' CD ' HG22 ' G' ' 71' ' ' THR . 76.4 Cg_exo -47.65 -179.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.84 2.36 . . . . 0.0 113.694 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.15 110.91 3.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.205 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.86 -85.69 0.4 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.82 49.24 0.91 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.425 0.631 . . . . 0.0 110.798 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.24 128.19 43.48 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 91.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.786 0.327 . . . . 0.0 110.61 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.4 102.87 9.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.365 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.06 -146.7 13.3 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.03 71.65 0.57 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -52.0 140.44 20.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.887 0.375 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.45 -47.27 0.66 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 171.28 130.32 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.96 94.2 3.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.535 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.63 98.63 6.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.369 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.47 -177.55 5.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 111.399 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.93 135.11 12.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.803 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.26 -177.84 6.84 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.42 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 87.4 p -171.2 165.52 7.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.813 0.34 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -163.33 128.89 3.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.781 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -141.57 88.49 2.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.86 48.4 0.02 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.42 133.11 42.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.586 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.26 33.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.1 m -130.11 114.54 15.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.374 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . 0.432 ' HB2' HG22 ' G' ' 68' ' ' THR . 5.9 t 65.34 85.98 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.652 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.598 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . 0.451 ' HG ' ' N ' ' G' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.21 136.27 48.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.68 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m 53.89 95.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.07 129.34 6.96 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -135.27 147.58 49.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.795 0.331 . . . . 0.0 110.691 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 49.2 m 50.01 42.68 25.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.724 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.51 107.22 18.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.96 115.02 9.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.757 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -118.36 127.8 54.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.677 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -148.02 124.4 10.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.404 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -73.44 -54.64 7.8 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.304 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -132.27 -171.22 2.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.932 0.396 . . . . 0.0 110.911 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 65.73 69.42 1.35 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' H' ' 49' ' ' GLY . 88.0 m-85 28.77 78.28 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 O-C-N 124.209 0.594 . . . . 0.0 111.83 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.39 -63.02 3.96 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -138.95 80.34 1.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.79 0.329 . . . . 0.0 110.268 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 21.3 t -138.92 127.59 23.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.918 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 62.2 m -131.33 166.65 20.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.512 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 57.89 49.27 12.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.81 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 73.0 m -61.0 -39.38 89.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.433 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 91.6 p -150.87 159.67 44.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.535 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -142.43 128.68 19.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.592 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.77 -152.29 48.4 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.04 115.0 1.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.408 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 175.87 153.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.883 0.373 . . . . 0.0 110.839 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.78 108.01 20.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.294 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.81 104.6 16.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.707 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.9 m -119.44 128.14 53.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.46 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.04 -164.54 0.5 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.94 -54.02 22.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.569 0.223 . . . . 0.0 110.89 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.28 -94.15 0.89 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . 0.431 HG22 ' HB2' ' H' ' 96' ' ' SER . 19.6 p -114.79 113.43 24.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.58 142.88 3.23 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.05 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 67.5 m -107.67 124.05 49.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.356 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . 0.41 HG22 ' CD ' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -83.33 174.52 5.87 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.786 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . 0.41 ' CD ' HG22 ' H' ' 71' ' ' THR . 76.0 Cg_exo -47.72 -179.65 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.819 2.346 . . . . 0.0 113.665 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.11 111.01 3.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.213 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.74 -85.66 0.4 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.74 49.13 0.91 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 121.439 0.637 . . . . 0.0 110.817 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.12 128.23 43.35 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.17 91.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 0.0 110.579 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.33 102.93 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.418 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.12 -146.73 13.27 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.04 71.72 0.56 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -52.13 140.43 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 110.902 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.48 -47.19 0.66 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 5.6 t 171.22 130.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.29 . . . . 0.0 110.259 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -133.96 94.16 3.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.59 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.59 98.64 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.331 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.52 -177.68 5.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.985 0.421 . . . . 0.0 111.386 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 48.1 t -155.83 135.12 12.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.808 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.28 -177.92 6.9 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.443 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 87.2 p -171.16 165.56 7.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.89 0.376 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -163.36 128.87 3.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.776 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -141.57 88.65 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.822 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 149.83 48.41 0.02 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -97.38 133.08 42.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.709 0.29 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.21 33.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.906 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.07 114.47 15.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.425 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . 0.431 ' HB2' HG22 ' H' ' 68' ' ' THR . 5.9 t 65.34 86.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.594 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 17.1 t80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.577 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . 0.45 ' HG ' ' N ' ' H' ' 37' ' ' SER . 6.0 t . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -108.32 136.25 48.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.667 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m 53.87 95.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -125.16 129.35 6.94 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -135.22 147.75 49.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.317 . . . . 0.0 110.645 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 49.2 m 49.86 42.71 24.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.707 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -88.54 107.15 18.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 45.5 t -140.84 115.33 9.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -118.67 127.77 53.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.624 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -147.84 125.53 11.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.34 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m -74.67 -54.61 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.063 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -132.39 -171.16 2.58 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.955 0.407 . . . . 0.0 110.819 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 65.72 69.39 1.36 Allowed Glycine 0 CA--C 1.522 0.483 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' I' ' 49' ' ' GLY . 87.8 m-85 28.55 79.11 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.195 0.585 . . . . 0.0 111.734 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -48.96 -63.14 4.1 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -139.08 80.61 1.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.846 0.355 . . . . 0.0 110.208 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 22.2 t -139.18 127.46 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.79 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 61.3 m -131.28 166.6 20.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 57.94 49.27 12.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.73 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 72.7 m -61.04 -39.34 89.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.419 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 90.7 p -150.93 159.7 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -142.45 128.64 19.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.84 -152.28 48.55 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -50.24 114.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.639 0.257 . . . . 0.0 110.475 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 4.7 p 176.07 153.3 0.17 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -99.78 107.94 20.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.28 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -92.77 104.58 16.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.4 m -119.31 128.26 53.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.391 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.1 -164.39 0.5 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.14 -54.0 23.71 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.219 -0.192 . . . . 0.0 110.795 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.38 -94.21 0.89 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . 0.433 HG22 ' HB2' ' I' ' 96' ' ' SER . 19.9 p -114.78 113.39 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -168.58 142.91 3.24 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.858 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.8 m -107.31 124.81 50.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.346 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . 0.41 HG22 ' CD ' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -83.92 174.41 5.95 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.658 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . 0.41 ' CD ' HG22 ' I' ' 71' ' ' THR . 75.0 Cg_exo -47.98 -179.12 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.709 0 C-N-CA 122.838 2.359 . . . . 0.0 113.437 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.18 111.35 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.268 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 114.88 -85.55 0.39 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.44 48.3 0.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.229 0.538 . . . . 0.0 110.792 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.36 128.35 41.45 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t 50.08 91.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.814 0.34 . . . . 0.0 110.539 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 6.8 m -80.22 102.83 9.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.508 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.97 -146.54 13.24 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 71.71 0.56 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -52.14 140.74 20.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.046 0.451 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.37 -47.1 0.67 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t 171.23 130.38 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.706 0.289 . . . . 0.0 110.236 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -134.02 94.22 3.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.524 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -115.62 98.53 6.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.53 -178.25 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.975 0.417 . . . . 0.0 111.373 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -155.24 135.19 12.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.895 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.51 -178.72 7.48 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.378 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -170.45 165.67 8.55 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -163.25 129.24 3.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.77 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -141.91 89.78 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.614 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 148.91 48.49 0.02 OUTLIER Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -97.32 132.94 42.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 0.0 110.587 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -141.26 139.2 33.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -130.16 114.7 16.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.347 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . 0.433 ' HB2' HG22 ' I' ' 68' ' ' THR . 5.9 t 65.23 86.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.552 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.599 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -127.41 141.06 51.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.562 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m 56.02 94.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.32 156.23 23.33 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.84 -173.58 2.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 0.0 110.516 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.5 t -57.76 140.05 52.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -131.27 145.09 51.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.774 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -138.46 123.16 18.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.5 m -129.77 129.36 44.0 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.266 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.5 132.07 14.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.249 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.402 HG21 ' HD3' ' A' ' 72' ' ' PRO . 1.0 OUTLIER -81.53 -50.38 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.077 0.465 . . . . 0.0 110.922 -179.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.4 t -132.68 -154.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.218 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.29 54.22 17.76 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.813 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 52.45 -174.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.185 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.53 -54.36 1.34 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -160.63 -78.77 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.595 0.236 . . . . 0.0 110.741 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.1 m -129.67 126.25 37.9 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.901 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -100.2 126.46 46.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.443 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.65 137.71 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.667 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.0 m -132.54 104.0 6.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.48 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.76 110.78 22.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.671 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.97 174.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.69 -161.5 51.22 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 52.54 -177.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.795 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.9 -33.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.39 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -123.07 105.46 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.489 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -94.76 103.98 15.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.609 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -120.47 133.28 55.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.754 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.66 -161.45 0.11 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.98 -53.85 14.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 0.0 110.984 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.83 -100.51 1.18 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.407 HG22 ' HB2' ' A' ' 96' ' ' SER . 19.7 p -116.15 112.79 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.98 0.419 . . . . 0.0 110.55 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.95 152.69 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.381 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -112.71 121.29 44.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.429 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.04 173.7 6.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.999 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.402 ' HD3' HG21 ' A' ' 47' ' ' THR . 81.3 Cg_exo -45.19 170.25 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 122.546 2.164 . . . . 0.0 113.622 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -144.95 111.28 5.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.692 -1.14 . . . . 0.0 108.689 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 124.56 -79.95 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.221 -1.152 . . . . 0.0 110.221 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.67 -61.38 1.43 Allowed 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.239 -0.184 . . . . 0.0 110.714 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.51 112.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.499 ' HA ' ' HG ' ' B' ' 77' ' ' SER . 89.3 p 47.75 91.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.955 0.407 . . . . 0.0 110.73 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 m -82.03 110.35 17.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.143 0.497 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.35 -142.84 10.66 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.042 -1.223 . . . . 0.0 110.042 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.2 74.4 0.26 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.8 138.58 53.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.7 0.285 . . . . 0.0 110.973 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.75 -45.45 0.68 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.47 132.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.796 0.332 . . . . 0.0 110.198 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.23 95.26 4.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.7 91.95 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.147 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.3 p -147.52 -176.55 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.048 0.451 . . . . 0.0 111.43 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.1 t -161.93 141.44 9.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.32 -176.11 5.43 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.143 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -169.7 178.32 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.817 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.5 155.02 31.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.205 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -67.58 0.85 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.831 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.71 103.91 0.18 Allowed Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.766 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.66 159.22 21.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.687 0.279 . . . . 0.0 110.264 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -129.42 140.79 51.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -131.07 125.32 32.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.407 ' HB2' HG22 ' A' ' 68' ' ' THR . 11.8 t 59.3 -166.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.589 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -127.44 140.99 51.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.553 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m 56.06 94.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.25 156.27 23.32 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.73 -173.25 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.737 0.303 . . . . 0.0 110.584 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -58.08 140.06 53.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.756 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.16 145.35 51.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.804 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -138.59 123.18 18.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.312 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.7 m -129.82 129.13 43.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 111.345 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.23 132.06 15.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.374 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.408 HG21 ' HD3' ' B' ' 72' ' ' PRO . 1.0 OUTLIER -81.77 -50.41 9.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.811 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 15.5 t -132.4 -153.28 0.54 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.33 56.36 12.24 Favored Glycine 0 CA--C 1.522 0.5 0 C-N-CA 120.364 -0.922 . . . . 0.0 111.446 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 50.35 -173.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.495 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.75 -54.52 1.3 Allowed Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -160.73 -79.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.592 0.234 . . . . 0.0 110.63 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 70.8 m -129.46 126.33 38.47 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.083 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 71.1 m -100.09 126.22 46.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.566 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.61 47.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.674 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m -132.53 103.88 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.478 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 40.2 t -108.56 110.72 22.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.92 174.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.809 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.59 -161.42 51.05 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.66 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.971 0.415 . . . . 0.0 110.772 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.94 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.357 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -122.94 105.4 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.556 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.74 103.94 15.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.552 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -120.26 133.38 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.744 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.63 -161.34 0.1 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.18 -53.92 15.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.613 0.244 . . . . 0.0 110.812 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.94 -100.65 1.19 Allowed Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.507 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.41 HG22 ' HB2' ' B' ' 96' ' ' SER . 20.1 p -115.82 112.68 22.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.597 0.237 . . . . 0.0 110.64 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.01 152.26 5.1 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.406 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -112.25 121.21 44.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.369 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.66 173.91 6.72 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.916 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 85.9 Cg_exo -45.01 171.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.629 2.219 . . . . 0.0 113.395 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.411 ' H ' ' H ' ' C' ' 74' ' ' GLY . 6.6 mp0 -146.68 110.55 4.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.845 -1.071 . . . . 0.0 108.64 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.18 -79.69 0.36 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.5 -61.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.715 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.65 113.17 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.499 ' HG ' ' HA ' ' A' ' 77' ' ' SER . 90.5 p 47.7 91.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.926 0.393 . . . . 0.0 110.754 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 41.4 m -81.77 110.28 16.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.401 . . . . 0.0 110.964 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.47 -142.45 10.43 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.879 -1.289 . . . . 0.0 109.879 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.1 74.54 0.25 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.97 138.82 53.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.916 0.388 . . . . 0.0 110.978 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.69 -45.31 0.69 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.38 132.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.771 0.319 . . . . 0.0 110.249 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.21 95.3 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.6 91.57 3.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.269 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 59.2 p -147.06 -176.5 5.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.035 0.445 . . . . 0.0 111.482 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 47.2 t -161.9 141.37 9.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.009 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.33 -175.98 5.35 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.313 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 22.5 t -169.74 178.25 4.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 154.82 31.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.278 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.99 -67.55 0.85 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.79 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.73 103.7 0.18 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.659 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.48 159.04 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.649 0.261 . . . . 0.0 110.407 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.32 140.85 51.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.7 m -131.04 125.4 33.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.32 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . 0.41 ' HB2' HG22 ' B' ' 68' ' ' THR . 11.7 t 59.12 -166.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.586 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 66.1 t80 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.521 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.46 140.92 51.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m 56.06 94.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.33 156.32 23.39 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.78 -173.25 2.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.753 0.311 . . . . 0.0 110.606 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 40.2 t -58.11 140.15 53.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.662 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.13 145.37 51.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -138.7 123.15 18.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.247 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -129.75 129.08 43.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 111.405 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.26 132.13 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.332 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . 0.408 HG21 ' HD3' ' C' ' 72' ' ' PRO . 1.0 OUTLIER -81.74 -50.56 9.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.872 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -132.41 -153.24 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.3 56.33 12.4 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.358 -0.925 . . . . 0.0 111.514 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 50.4 -173.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.551 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.87 -54.52 1.29 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.74 -79.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.547 0.213 . . . . 0.0 110.575 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 70.9 m -129.3 126.41 38.94 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.093 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 71.7 m -100.25 126.25 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.69 47.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.643 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 62.6 m -132.56 103.88 6.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.516 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.58 110.76 22.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.778 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.88 174.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.42 51.25 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.58 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.382 . . . . 0.0 110.792 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 4.3 t -171.87 -33.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.359 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -122.99 105.49 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.538 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -94.91 103.93 15.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.25 133.4 55.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.73 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.76 -161.33 0.11 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -53.99 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.608 0.242 . . . . 0.0 110.875 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.05 -100.63 1.18 Allowed Glycine 0 CA--C 1.523 0.539 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.443 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.412 HG22 ' HB2' ' C' ' 96' ' ' SER . 20.1 p -115.91 112.83 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.633 0.254 . . . . 0.0 110.621 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.09 152.29 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.371 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -112.23 121.25 44.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.392 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.74 173.99 6.58 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.813 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . 0.414 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 87.3 Cg_exo -45.0 172.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.716 2.278 . . . . 0.0 113.312 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . 0.408 ' H ' ' H ' ' D' ' 74' ' ' GLY . 6.5 mp0 -146.89 110.54 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.61 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . 0.411 ' H ' ' H ' ' B' ' 73' ' ' GLN . . . 125.22 -79.57 0.36 Allowed Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 -178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.69 -61.4 1.43 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.724 0.297 . . . . 0.0 110.686 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.76 113.18 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . 0.497 ' HA ' ' HG ' ' D' ' 77' ' ' SER . 90.3 p 47.6 91.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.972 0.415 . . . . 0.0 110.748 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 41.8 m -81.79 110.45 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.409 . . . . 0.0 110.964 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.42 -142.57 10.5 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.18 74.58 0.24 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.96 138.86 53.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.961 0.41 . . . . 0.0 110.937 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.62 -45.3 0.69 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.67 0.271 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 70.3 m -128.16 95.2 4.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.557 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.66 91.59 3.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.244 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 59.1 p -147.01 -176.53 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 111.479 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -161.89 141.47 9.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.004 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.34 -176.07 5.4 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.367 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 22.5 t -169.65 178.24 4.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.915 0.388 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.32 154.98 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.212 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -67.61 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.761 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.67 103.67 0.18 Allowed Glycine 0 CA--C 1.527 0.796 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.613 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.57 159.07 21.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.656 0.265 . . . . 0.0 110.373 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.43 140.79 51.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.04 125.3 32.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.341 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . 0.412 ' HB2' HG22 ' C' ' 68' ' ' THR . 11.6 t 59.29 -166.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.619 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.579 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -127.47 140.98 51.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.492 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m 56.06 94.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.28 156.28 23.34 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.79 -173.14 2.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.745 0.307 . . . . 0.0 110.473 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -58.09 140.28 52.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.682 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -131.29 145.36 51.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -138.66 123.12 18.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.38 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 97.9 m -129.79 128.93 43.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.349 . . . . 0.0 111.428 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.09 132.1 15.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.311 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . 0.409 HG21 ' HD3' ' D' ' 72' ' ' PRO . 1.0 OUTLIER -81.84 -50.63 9.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 110.693 -179.836 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 15.6 t -132.26 -153.21 0.54 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.5 56.25 12.32 Favored Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.492 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' E' ' 49' ' ' GLY . 35.2 m-85 50.41 -173.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.453 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.9 -54.48 1.29 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.78 -79.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 110.566 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -129.32 126.41 38.91 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.065 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.26 126.09 46.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.563 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.4 137.62 46.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.753 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 62.5 m -132.46 103.79 6.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.535 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 40.4 t -108.52 110.74 22.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.795 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.9 174.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.65 -161.38 51.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.57 -177.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.779 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -172.07 -33.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.369 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.05 105.39 9.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.547 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -94.91 104.03 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -120.5 133.24 55.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.62 -161.36 0.1 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.06 -53.68 15.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.661 0.267 . . . . 0.0 110.932 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.64 -100.53 1.2 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . 0.41 HG22 ' HB2' ' D' ' 96' ' ' SER . 19.9 p -115.86 112.6 22.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.616 0.246 . . . . 0.0 110.894 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.07 152.41 5.11 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.387 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -112.34 121.42 44.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.329 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.88 173.93 6.65 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.773 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . 0.417 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 84.8 Cg_exo -45.01 172.01 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.596 2.197 . . . . 0.0 113.361 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . 0.444 ' H ' ' H ' ' E' ' 74' ' ' GLY . 6.5 mp0 -146.9 110.51 4.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.696 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . 0.408 ' H ' ' H ' ' C' ' 73' ' ' GLN . . . 125.17 -79.6 0.36 Allowed Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.159 -1.177 . . . . 0.0 110.159 -178.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.64 -61.58 1.41 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.687 0.279 . . . . 0.0 110.665 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.89 113.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . 0.497 ' HG ' ' HA ' ' C' ' 77' ' ' SER . 89.7 p 47.76 91.7 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.902 0.382 . . . . 0.0 110.738 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 41.2 m -81.64 110.35 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.891 0.377 . . . . 0.0 111.029 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.62 -142.58 10.42 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.17 74.64 0.24 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.84 138.81 52.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.87 0.366 . . . . 0.0 111.081 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.61 -45.14 0.7 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.28 132.48 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.761 0.315 . . . . 0.0 110.226 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -128.1 95.12 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.609 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.56 91.62 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.209 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 58.8 p -147.02 -176.5 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.069 0.461 . . . . 0.0 111.444 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 47.3 t -161.9 141.38 9.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.973 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.31 -176.1 5.42 Favored 'General case' 0 C--O 1.224 -0.281 0 C-N-CA 120.599 -0.44 . . . . 0.0 111.325 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 22.7 t -169.6 178.21 4.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.888 0.375 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.33 154.93 31.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.185 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.24 -67.39 0.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.804 -0.359 . . . . 0.0 111.838 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.72 103.6 0.18 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.601 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.5 159.04 21.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.671 0.272 . . . . 0.0 110.38 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.38 140.75 51.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.819 0.342 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.06 125.24 32.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.305 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . 0.41 ' HB2' HG22 ' D' ' 68' ' ' THR . 11.8 t 59.31 -166.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.472 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -127.54 140.92 51.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.671 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m 56.07 94.02 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.406 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.45 156.28 23.43 Favored Glycine 0 C--N 1.338 0.694 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.76 -173.19 2.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.751 0.31 . . . . 0.0 110.561 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -58.15 140.2 53.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.733 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -131.24 145.34 51.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -138.64 123.16 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.299 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 97.4 m -129.86 128.98 43.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 111.359 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -150.03 132.8 15.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.331 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . 0.404 HG21 ' HD3' ' E' ' 72' ' ' PRO . 1.0 OUTLIER -84.12 -48.3 10.0 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 119.719 -0.792 . . . . 0.0 111.231 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 14.8 t -130.83 -152.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 70.67 49.0 32.27 Favored Glycine 0 C--N 1.343 0.931 0 C-N-CA 118.107 -1.997 . . . . 0.0 112.585 176.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 53.94 -174.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 117.377 0.588 . . . . 0.0 109.854 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.49 -53.79 1.3 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -160.62 -81.57 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 68.0 m -128.64 127.18 41.7 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.295 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 73.5 m -101.74 126.22 48.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.112 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.55 137.62 47.12 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.662 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 62.5 m -132.52 103.87 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.564 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.65 110.85 22.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 55.8 174.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.77 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.35 51.3 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 52.47 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.88 -33.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.361 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -123.06 105.4 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.536 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.8 103.87 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.602 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 97.8 m -120.21 133.36 55.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.56 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.07 -162.13 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.49 -54.59 11.1 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.677 0.275 . . . . 0.0 110.558 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.2 -100.51 1.16 Allowed Glycine 0 CA--C 1.522 0.525 0 CA-C-O 119.266 -0.741 . . . . 0.0 111.513 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . 0.411 HG22 ' HB2' ' E' ' 96' ' ' SER . 19.9 p -116.07 112.05 21.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.687 0.875 . . . . 0.0 110.48 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.34 152.9 6.2 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.33 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 95.3 p -112.87 122.68 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 119.178 -0.439 . . . . 0.0 110.18 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.0 173.9 6.5 Favored Pre-proline 0 C--N 1.327 -0.397 0 O-C-N 124.895 1.372 . . . . 0.0 109.351 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . 0.417 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 88.1 Cg_exo -45.01 171.91 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.632 2.221 . . . . 0.0 113.29 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . 0.405 ' H ' ' H ' ' F' ' 74' ' ' GLY . 6.2 mp0 -146.54 114.08 6.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . 0.444 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 122.62 -81.64 0.35 Allowed Glycine 0 CA--C 1.541 1.666 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -177.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -102.82 -60.08 1.6 Allowed 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.824 0.312 . . . . 0.0 111.022 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.11 113.45 0.01 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . 0.496 ' HG ' ' HA ' ' D' ' 77' ' ' SER . 93.6 p 46.61 93.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.136 0.493 . . . . 0.0 110.418 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 42.1 m -82.64 110.68 17.92 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.68 -142.19 10.22 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 109.829 -1.308 . . . . 0.0 109.829 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.91 74.62 0.24 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -57.32 138.63 54.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.916 0.388 . . . . 0.0 111.005 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.89 -43.37 0.75 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 169.23 132.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.85 0.357 . . . . 0.0 110.096 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 70.0 m -128.38 94.75 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.7 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.08 90.71 3.4 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.741 0.651 . . . . 0.0 110.265 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 59.4 p -146.66 -176.81 5.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.016 0.436 . . . . 0.0 111.469 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 47.3 t -161.73 141.37 10.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.962 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.37 -176.12 5.43 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.317 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -169.38 178.6 4.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.88 0.371 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.23 154.83 31.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.143 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -66.04 0.95 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.05 101.71 0.16 Allowed Glycine 0 C--N 1.34 0.794 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.833 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -82.48 159.11 22.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 0.0 110.321 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.39 140.77 51.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -130.91 125.19 32.86 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.175 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . 0.411 ' HB2' HG22 ' E' ' 68' ' ' THR . 11.9 t 59.61 -166.15 0.19 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.981 0.801 . . . . 0.0 110.403 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.489 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -127.39 141.01 51.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.546 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m 56.11 94.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.742 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.41 156.29 23.42 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.74 -173.18 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.519 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 40.4 t -58.11 140.09 53.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.675 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.13 145.3 51.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 44.2 t -138.68 123.21 18.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.273 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 97.1 m -129.98 129.26 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.971 0.415 . . . . 0.0 111.246 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.27 132.16 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.348 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . 0.407 HG21 ' HD3' ' F' ' 72' ' ' PRO . 1.0 OUTLIER -81.76 -50.52 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.813 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -132.38 -153.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.32 56.38 12.18 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.472 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 50.35 -173.93 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.642 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.71 -54.51 1.31 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -160.77 -78.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.565 0.221 . . . . 0.0 110.618 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 71.2 m -129.46 126.47 38.79 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.094 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 71.3 m -100.26 126.21 46.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.556 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -109.51 137.69 46.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 62.9 m -132.53 103.81 6.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.539 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 40.2 t -108.57 110.8 22.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.89 174.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.58 -161.43 51.01 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 52.66 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 0.0 110.737 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.92 -33.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.379 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.17 105.53 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -95.0 103.97 15.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.607 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 97.2 m -120.11 133.77 55.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.545 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -161.19 0.11 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.15 -54.23 14.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.649 0.261 . . . . 0.0 110.885 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.21 -100.84 1.18 Allowed Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.505 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . 0.409 HG22 ' HB2' ' F' ' 96' ' ' SER . 20.0 p -115.6 112.87 22.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.573 0.225 . . . . 0.0 110.529 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.1 152.38 5.07 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.374 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 97.1 p -112.34 121.23 44.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.353 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.8 173.98 6.6 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.726 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 87.8 Cg_exo -45.07 172.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.715 2.277 . . . . 0.0 113.267 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . 0.408 ' H ' ' H ' ' G' ' 74' ' ' GLY . 6.5 mp0 -146.9 110.51 4.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.598 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' E' ' 73' ' ' GLN . . . 125.21 -79.7 0.36 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.47 -61.5 1.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.786 0.327 . . . . 0.0 110.596 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.73 113.19 0.01 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . 0.494 ' HG ' ' HA ' ' E' ' 77' ' ' SER . 88.9 p 47.6 91.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.958 0.408 . . . . 0.0 110.758 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 42.3 m -81.79 110.46 17.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.997 0.427 . . . . 0.0 110.991 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.42 -142.57 10.5 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.24 74.45 0.26 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.81 138.85 52.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.842 0.353 . . . . 0.0 110.965 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.61 -45.19 0.69 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.35 132.55 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.777 0.323 . . . . 0.0 110.184 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 70.8 m -128.19 95.14 4.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -115.52 91.55 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.22 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 59.0 p -147.0 -176.4 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.044 0.449 . . . . 0.0 111.477 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 47.2 t -162.01 141.31 9.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.007 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.28 -175.97 5.35 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.412 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.72 178.25 4.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.37 154.9 31.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.244 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.12 -67.64 0.85 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.682 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.68 103.75 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.583 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.56 159.03 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.73 0.3 . . . . 0.0 110.27 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -129.42 140.74 51.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -130.96 125.41 33.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.362 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . 0.409 ' HB2' HG22 ' F' ' 68' ' ' THR . 11.8 t 59.22 -166.03 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.569 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.518 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -127.38 141.01 51.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.553 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m 56.11 94.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.782 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.39 156.3 23.41 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.78 -173.16 2.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.604 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 40.4 t -58.02 140.06 53.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.699 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.17 145.36 51.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 44.0 t -138.62 123.27 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.234 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -129.9 129.1 43.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.95 0.405 . . . . 0.0 111.345 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.21 132.11 15.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.385 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . 0.408 HG21 ' HD3' ' G' ' 72' ' ' PRO . 1.0 OUTLIER -81.79 -50.53 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.791 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 15.8 t -132.39 -153.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.33 56.31 12.39 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.487 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 50.55 -173.8 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.528 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.94 -54.51 1.29 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -160.75 -79.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.599 0.238 . . . . 0.0 110.622 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 70.9 m -129.32 126.37 38.8 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.086 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.14 126.19 46.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.544 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.48 137.6 47.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.752 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 62.4 m -132.48 103.91 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.486 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.69 110.8 22.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.715 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.85 174.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.68 -161.37 51.3 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.53 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.991 0.424 . . . . 0.0 110.732 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 4.3 t -171.87 -33.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.432 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -122.99 105.44 9.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.561 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.83 103.95 15.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.15 133.47 55.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.768 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.86 -161.23 0.11 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -53.96 15.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.619 0.247 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.92 -100.7 1.19 Allowed Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.486 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . 0.411 HG22 ' HB2' ' G' ' 96' ' ' SER . 20.0 p -115.83 112.76 22.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.666 0.27 . . . . 0.0 110.598 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.01 152.38 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.192 -0.603 . . . . 0.0 111.386 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -112.3 121.19 44.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.401 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.66 173.96 6.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.821 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . 0.418 ' HA ' ' O ' ' H' ' 72' ' ' PRO . 87.5 Cg_exo -45.09 172.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.659 2.239 . . . . 0.0 113.323 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . 0.409 ' H ' ' H ' ' H' ' 74' ' ' GLY . 6.5 mp0 -146.83 110.54 4.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.635 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . 0.408 ' H ' ' H ' ' F' ' 73' ' ' GLN . . . 125.2 -79.64 0.36 Allowed Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 -178.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.54 -61.6 1.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.78 0.324 . . . . 0.0 110.615 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.87 113.2 0.01 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . 0.496 ' HA ' ' HG ' ' H' ' 77' ' ' SER . 90.4 p 47.62 91.71 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.933 0.397 . . . . 0.0 110.726 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 42.6 m -81.76 110.36 17.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.388 . . . . 0.0 110.92 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.39 -142.49 10.47 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.05 74.67 0.24 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.94 138.86 53.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.971 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.64 -45.28 0.69 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.4 132.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 70.3 m -128.19 95.22 4.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.556 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.52 91.45 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.256 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 58.8 p -146.89 -176.47 5.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 111.532 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 47.4 t -161.96 141.41 9.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.953 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.25 -175.94 5.35 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.38 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.74 178.24 4.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.31 154.91 31.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.313 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.17 -67.6 0.85 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.707 -179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.66 103.74 0.18 Allowed Glycine 0 CA--C 1.525 0.68 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.575 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.52 159.1 21.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.594 0.235 . . . . 0.0 110.397 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.4 140.81 51.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -131.03 125.36 33.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.274 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . 0.411 ' HB2' HG22 ' G' ' 68' ' ' THR . 11.8 t 59.25 -166.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.517 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.483 179.917 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -127.37 141.07 51.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.606 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 50.7 m 56.02 94.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.38 156.31 23.41 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.8 -173.09 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.328 . . . . 0.0 110.542 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 40.4 t -58.21 140.17 53.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.686 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -131.23 145.31 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 44.1 t -138.65 123.25 18.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.275 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -129.83 129.13 43.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.87 0.367 . . . . 0.0 111.373 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.27 132.04 15.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.381 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . 0.406 HG21 ' HD3' ' H' ' 72' ' ' PRO . 1.0 OUTLIER -81.71 -50.58 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.767 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 15.6 t -132.4 -153.27 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.37 56.3 12.38 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 120.3 -0.952 . . . . 0.0 111.551 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 50.47 -173.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.549 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.89 -54.48 1.29 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.74 -78.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.542 0.211 . . . . 0.0 110.624 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 70.6 m -129.36 126.48 39.0 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.037 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 71.4 m -100.31 126.18 46.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.547 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.47 137.7 46.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.722 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 62.2 m -132.6 103.95 6.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.485 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -108.66 110.79 22.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.737 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.93 174.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.72 -161.39 51.37 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.54 -177.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.788 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 4.4 t -171.9 -33.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.382 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -123.02 105.42 9.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.536 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.9 103.95 15.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.532 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -120.19 133.54 55.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.799 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.83 -161.31 0.11 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.04 -54.04 14.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.644 0.259 . . . . 0.0 110.89 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.01 -100.77 1.19 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . 0.411 HG22 ' HB2' ' H' ' 96' ' ' SER . 20.0 p -115.75 112.84 22.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.623 0.249 . . . . 0.0 110.627 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.09 152.27 5.04 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.366 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 97.1 p -112.14 121.13 44.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.62 173.94 6.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.843 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 85.6 Cg_exo -45.08 172.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.56 2.174 . . . . 0.0 113.365 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . 0.407 ' H ' ' H ' ' I' ' 74' ' ' GLY . 6.5 mp0 -146.86 110.62 4.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.649 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . 0.409 ' H ' ' H ' ' G' ' 73' ' ' GLN . . . 125.18 -79.73 0.36 Allowed Glycine 0 CA--C 1.528 0.848 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 -178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.48 -61.47 1.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.87 0.367 . . . . 0.0 110.732 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.8 113.24 0.01 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . 0.496 ' HG ' ' HA ' ' G' ' 77' ' ' SER . 90.4 p 47.56 91.78 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.986 0.422 . . . . 0.0 110.693 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 42.2 m -81.73 110.44 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.932 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.46 -142.49 10.45 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.1 74.66 0.24 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -56.94 138.87 53.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.935 0.398 . . . . 0.0 110.936 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.6 -45.23 0.69 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.39 132.58 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.741 0.305 . . . . 0.0 110.247 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 70.4 m -128.23 95.09 4.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.619 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -115.49 91.52 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.293 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 58.7 p -146.92 -176.44 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.499 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -161.96 141.34 9.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.984 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.29 -176.09 5.42 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.326 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -169.63 178.26 4.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.32 154.9 31.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.324 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.2 -67.67 0.84 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.657 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.62 103.78 0.18 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.583 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -83.66 158.98 21.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.665 0.269 . . . . 0.0 110.363 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -129.29 140.83 51.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -131.09 125.36 32.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.295 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . 0.411 ' HB2' HG22 ' H' ' 68' ' ' THR . 11.8 t 59.27 -166.06 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.526 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -127.48 141.01 51.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.46 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 50.6 m 56.1 94.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -137.33 156.38 23.42 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.68 -172.72 2.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.743 0.306 . . . . 0.0 110.581 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -58.54 140.27 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.613 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -131.34 145.32 51.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.788 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -138.6 123.17 18.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.339 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 99.7 m -129.98 129.1 43.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 0.0 111.315 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.19 132.51 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.342 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . 0.405 HG21 ' HD3' ' I' ' 72' ' ' PRO . 1.0 OUTLIER -82.34 -50.95 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.588 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 15.7 t -131.93 -153.16 0.54 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.46 56.25 12.37 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.478 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 50.6 -173.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.528 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.14 -54.69 1.25 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -160.48 -78.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.644 0.259 . . . . 0.0 110.608 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 71.1 m -129.22 127.36 41.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 72.2 m -101.12 126.03 47.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.389 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -109.52 137.78 46.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.63 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -132.49 103.96 6.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.457 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 40.0 t -108.82 110.8 22.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.683 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 55.88 174.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.75 -161.38 51.46 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 52.55 -177.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.367 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 4.5 t -171.97 -33.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.384 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -123.02 105.43 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.519 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -94.88 103.97 15.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.55 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -120.06 133.75 55.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.709 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.99 -161.12 0.11 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.37 -53.98 15.62 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.702 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.05 -100.73 1.19 Allowed Glycine 0 CA--C 1.524 0.613 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.385 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . 0.413 HG22 ' HB2' ' I' ' 96' ' ' SER . 20.4 p -115.79 112.86 22.61 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.249 -0.18 . . . . 0.0 110.583 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.1 152.31 5.05 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.242 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 97.2 p -112.03 122.1 46.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.223 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.33 173.71 6.88 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.609 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . 0.405 ' HD3' HG21 ' I' ' 47' ' ' THR . 89.1 Cg_exo -45.29 172.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.621 2.214 . . . . 0.0 113.243 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -146.95 110.91 5.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.674 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' H' ' 73' ' ' GLN . . . 125.2 -79.61 0.36 Allowed Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 -178.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.15 -61.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.467 . . . . 0.0 110.618 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.02 113.4 0.01 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . 0.492 ' HG ' ' HA ' ' H' ' 77' ' ' SER . 92.3 p 47.49 91.85 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.907 0.384 . . . . 0.0 110.67 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 43.9 m -81.53 110.49 16.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.014 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.5 -142.36 10.37 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.23 74.59 0.24 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -56.94 139.19 52.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.029 0.442 . . . . 0.0 110.927 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.49 -45.21 0.7 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.37 132.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.702 0.287 . . . . 0.0 110.273 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 70.5 m -128.15 95.27 4.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.559 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -115.56 91.47 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.19 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 60.9 p -147.08 -177.21 5.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.07 0.462 . . . . 0.0 111.482 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -161.21 141.53 10.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.021 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.45 -176.39 5.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.278 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 22.2 t -169.33 178.34 4.35 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.26 154.7 31.12 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.307 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.27 -67.62 0.85 Allowed 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.599 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.7 103.51 0.18 Allowed Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.39 -0.909 . . . . 0.0 111.504 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -83.4 158.85 21.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.7 0.285 . . . . 0.0 110.488 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -129.31 140.78 51.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -131.07 125.26 32.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.326 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . 0.413 ' HB2' HG22 ' I' ' 68' ' ' THR . 11.8 t 59.3 -166.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.542 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.487 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.2 p . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.13 90.23 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.585 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.2 m -117.85 150.62 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.57 -99.95 0.71 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -143.93 164.18 31.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.953 0.406 . . . . 0.0 110.716 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.3 t -136.2 144.22 44.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.475 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.24 -170.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.67 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.87 140.31 58.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -124.9 129.53 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.425 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -148.76 126.5 11.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.359 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.5 m -67.78 -59.27 3.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.027 0.441 . . . . 0.0 111.402 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.3 t -132.63 -163.77 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.802 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.88 67.96 1.89 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 34.79 79.01 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.028 0.487 . . . . 0.0 111.621 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.57 -62.65 4.67 Favored Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.506 -1.038 . . . . 0.0 110.506 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.41 78.46 1.64 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.817 0.342 . . . . 0.0 110.15 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 t -133.75 129.25 36.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.924 0.393 . . . . 0.0 110.993 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.0 m -119.32 151.34 38.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.51 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.65 128.54 54.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.7 m -139.34 34.81 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -70.0 161.88 29.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -125.63 148.46 48.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.612 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.01 -155.67 50.97 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.91 130.39 43.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.523 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.49 111.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.709 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.08 122.36 24.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.47 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.49 105.06 16.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.595 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -120.34 129.46 53.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.411 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.96 -163.68 0.63 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.97 -55.67 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 0.0 110.954 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.27 -100.07 1.25 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -111.63 111.04 21.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.999 0.428 . . . . 0.0 110.38 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.62 167.75 15.1 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.385 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.76 125.66 42.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.632 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 173.49 6.71 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.929 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' B' ' 72' ' ' PRO . 83.2 Cg_exo -44.5 167.39 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.463 2.109 . . . . 0.0 113.278 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.42 ' H ' ' H ' ' B' ' 74' ' ' GLY . 89.5 mm-40 -140.86 111.43 6.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.956 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.01 -84.84 0.37 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -59.04 1.93 Allowed 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.666 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.67 102.86 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.84 119.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.5 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m -109.65 100.03 9.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.802 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.86 -147.27 16.13 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.04 72.53 0.43 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -51.64 141.41 16.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.642 0.258 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.52 -47.57 0.67 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.74 0.305 . . . . 0.0 110.306 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.6 m -132.8 93.64 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.58 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.47 97.42 6.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.201 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.5 m -146.42 -179.84 7.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.993 0.425 . . . . 0.0 111.08 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -160.51 126.38 4.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.267 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -141.83 -178.32 5.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.713 0.292 . . . . 0.0 110.546 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -170.59 161.11 7.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.775 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.0 t -163.94 140.68 6.76 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.782 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -142.69 76.55 1.54 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.29 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.72 52.24 0.08 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -97.59 112.74 24.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.695 0.283 . . . . 0.0 110.809 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.12 125.44 33.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.369 . . . . 0.0 110.951 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.38 105.18 8.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.228 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.96 167.81 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.579 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.576 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 55.9 p . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.17 90.21 4.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.6 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.4 m -117.82 150.64 38.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.544 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.6 -100.05 0.71 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -143.79 164.22 31.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.786 0.327 . . . . 0.0 110.818 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 43.3 t -136.17 144.35 44.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.544 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.33 -170.58 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.635 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.88 140.35 58.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -124.95 129.59 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.431 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.82 126.52 11.77 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -67.84 -59.74 3.06 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.361 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.19 -163.55 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.68 68.67 1.56 Allowed Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.92 79.26 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.017 0.48 . . . . 0.0 111.67 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.81 -62.71 4.7 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.25 78.39 1.64 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.778 0.323 . . . . 0.0 110.254 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 16.6 t -133.79 128.77 35.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.114 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.75 151.48 37.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.6 128.59 54.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -139.41 34.82 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.499 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.1 p -69.99 161.88 29.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.614 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.57 148.51 48.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.506 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.97 -155.67 51.01 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.9 130.49 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.471 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.61 110.71 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.685 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.79 122.38 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.571 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.45 104.89 16.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.7 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -120.17 129.6 54.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.478 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.17 -163.63 0.67 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.09 -55.62 11.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.668 0.271 . . . . 0.0 110.907 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.38 -100.32 1.27 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 22.0 p -111.23 110.89 21.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.699 0.285 . . . . 0.0 110.444 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.5 167.9 15.21 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.449 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.84 125.48 41.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.661 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.91 173.65 6.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.833 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 89.1 Cg_exo -44.35 169.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.567 2.178 . . . . 0.0 113.066 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.435 ' H ' ' H ' ' C' ' 74' ' ' GLY . 89.1 mm-40 -142.67 110.56 5.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.938 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . 0.42 ' H ' ' H ' ' A' ' 73' ' ' GLN . . . 123.03 -84.67 0.37 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.404 ' CZ ' ' OG ' ' B' ' 86' ' ' SER . 0.1 OUTLIER -95.83 -59.19 1.91 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.672 0.272 . . . . 0.0 110.675 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.95 103.19 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.903 0.382 . . . . 0.0 110.47 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.55 100.06 9.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.8 -146.57 15.29 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.77 72.61 0.41 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.74 141.75 16.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.905 0.383 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.57 0.67 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.13 131.07 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.697 0.284 . . . . 0.0 110.308 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -132.77 93.76 3.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -114.41 97.31 6.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.282 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . 0.404 ' OG ' ' CZ ' ' B' ' 75' ' ' TYR . 49.9 m -146.31 -179.97 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 111.204 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.45 126.29 4.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.348 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.77 -178.4 5.65 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.696 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.4 p -170.43 161.05 7.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.819 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 40.4 t -163.7 140.77 7.1 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.978 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.93 78.22 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.61 52.28 0.07 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.62 112.72 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.18 125.5 33.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.95 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.13 8.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.226 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.96 167.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.532 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 63.1 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.575 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.12 90.11 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 71.0 m -117.76 150.69 38.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.495 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.71 -100.05 0.72 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -143.78 164.25 31.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.825 0.345 . . . . 0.0 110.796 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 43.3 t -136.2 144.29 44.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.556 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.25 -170.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.66 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 37.6 t -62.98 140.32 58.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.822 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.3 m -124.83 129.55 50.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -148.81 126.57 11.81 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.62 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 23.3 m -67.82 -59.79 3.03 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.43 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.27 -163.56 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.799 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.7 68.77 1.52 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.75 79.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.03 0.488 . . . . 0.0 111.733 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.83 -62.71 4.71 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -141.26 78.41 1.64 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 16.7 t -133.82 128.67 35.19 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.178 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 68.6 m -118.72 151.5 37.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.511 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.56 128.63 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -139.47 34.71 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.493 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -69.98 161.91 29.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.6 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.64 148.48 48.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.549 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.0 -155.55 50.87 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -66.96 130.47 43.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.514 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.59 110.71 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.684 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.71 122.34 23.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.552 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.5 105.02 16.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.67 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -120.15 129.6 54.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.478 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.19 -163.58 0.67 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.08 -55.72 11.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.676 0.274 . . . . 0.0 110.854 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.4 -100.27 1.26 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -111.35 110.94 21.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.702 0.287 . . . . 0.0 110.405 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.46 167.97 15.22 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.41 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 66.3 m -126.91 125.56 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.533 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.08 173.74 6.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.732 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . 0.421 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 89.4 Cg_exo -44.34 169.11 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.578 2.185 . . . . 0.0 113.005 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . 0.431 ' H ' ' H ' ' D' ' 74' ' ' GLY . 88.9 mm-40 -142.75 110.51 5.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.925 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . 0.435 ' H ' ' H ' ' B' ' 73' ' ' GLN . . . 123.04 -84.66 0.37 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . 0.406 ' CZ ' ' OG ' ' C' ' 86' ' ' SER . 0.1 OUTLIER -95.85 -59.16 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.623 0.249 . . . . 0.0 110.714 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.02 103.18 0.01 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 0.0 110.401 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.61 99.96 9.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.824 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.71 -146.69 15.55 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 72.52 0.42 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.76 141.81 16.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.902 0.382 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.39 -47.51 0.68 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 110.344 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.81 93.66 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.547 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.3 97.28 6.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.325 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . 0.406 ' OG ' ' CZ ' ' C' ' 75' ' ' TYR . 50.0 m -146.31 -179.94 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.167 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -160.43 126.25 4.03 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.334 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.69 -178.36 5.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.729 0.299 . . . . 0.0 110.671 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 95.9 p -170.47 161.02 7.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.801 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.8 140.7 6.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.981 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.9 78.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.041 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.5 52.33 0.07 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -97.56 112.6 24.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.712 0.292 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.06 125.47 33.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.004 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.41 105.15 8.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.246 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.94 167.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 62.9 t80 . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.523 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.18 90.14 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -117.8 150.66 38.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.559 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.7 -100.05 0.72 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -143.77 164.16 31.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.804 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 43.1 t -136.19 144.33 44.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.509 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.36 -170.5 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.678 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -63.0 140.41 58.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -124.95 129.47 50.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.523 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.67 126.53 11.9 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.642 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 22.9 m -67.96 -59.42 3.28 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.37 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.52 -163.58 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.886 0.374 . . . . 0.0 110.772 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.76 68.83 1.49 Allowed Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.94 79.4 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.964 0.449 . . . . 0.0 111.481 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.03 -62.59 4.87 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -141.31 78.39 1.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.831 0.348 . . . . 0.0 110.225 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 17.2 t -133.88 128.73 35.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.226 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.65 151.43 37.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.5 128.54 54.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.523 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 45.3 m -139.42 34.82 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.507 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.97 161.86 29.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.617 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -125.57 148.48 48.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.53 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.03 -155.63 50.91 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.83 130.45 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.743 0.306 . . . . 0.0 110.464 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 28.3 t -170.61 110.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.664 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.71 122.5 24.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.456 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.66 105.01 16.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -120.43 129.36 53.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.644 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.95 -163.57 0.61 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.27 -55.15 13.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.633 0.254 . . . . 0.0 110.93 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.86 -100.04 1.27 Allowed Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.45 110.5 20.97 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.748 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.28 168.03 15.49 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.092 -0.643 . . . . 0.0 111.426 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 65.5 m -126.83 125.63 42.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.624 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.18 173.62 6.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.748 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' C' ' 72' ' ' PRO . 89.2 Cg_exo -44.2 169.06 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.626 2.217 . . . . 0.0 113.052 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . 0.466 ' H ' ' H ' ' E' ' 74' ' ' GLY . 89.0 mm-40 -142.75 110.45 5.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.936 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . 0.431 ' H ' ' H ' ' C' ' 73' ' ' GLN . . . 123.05 -84.52 0.37 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . 0.406 ' CZ ' ' OG ' ' D' ' 86' ' ' SER . 0.1 OUTLIER -95.87 -59.27 1.89 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.662 0.268 . . . . 0.0 110.721 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.03 103.12 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.68 119.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 0.0 110.505 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.31 99.88 9.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.82 -146.76 15.49 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.91 72.66 0.41 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -51.84 141.75 16.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.49 -47.52 0.67 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.07 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.681 0.276 . . . . 0.0 110.31 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.73 93.71 3.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.486 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.4 97.42 6.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.22 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . 0.406 ' OG ' ' CZ ' ' D' ' 75' ' ' TYR . 50.0 m -146.38 179.99 7.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.943 0.401 . . . . 0.0 111.121 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.36 126.27 4.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.368 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.78 -178.4 5.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.704 0.288 . . . . 0.0 110.681 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.3 p -170.39 161.04 7.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 110.759 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.76 140.53 6.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.86 78.59 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.99 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.4 52.39 0.07 OUTLIER Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.68 112.58 24.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 110.896 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.09 125.46 33.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.881 0.372 . . . . 0.0 110.963 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.38 105.24 8.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.183 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.87 167.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.58 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 62.8 t80 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.471 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 56.0 p . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -100.93 89.65 3.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.771 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 70.2 m -117.5 150.51 38.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.563 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.45 -100.02 0.7 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -143.89 164.26 31.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.832 0.348 . . . . 0.0 110.708 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 43.2 t -136.19 144.34 44.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.535 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.3 -170.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.669 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 37.8 t -62.96 140.3 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -124.91 129.68 50.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.451 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -149.1 127.67 12.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.738 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m -72.45 -54.79 8.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 118.641 -1.224 . . . . 0.0 112.054 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 5.9 t -130.99 -162.96 1.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.207 0.527 . . . . 0.0 111.427 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.18 69.91 1.16 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 31.25 81.92 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 O-C-N 124.551 0.795 . . . . 0.0 110.802 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.35 -64.24 3.77 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -140.76 80.03 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.974 0.416 . . . . 0.0 109.969 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 16.9 t -134.74 128.72 33.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 69.2 m -118.83 151.65 37.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.233 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.7 128.57 54.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 46.0 m -139.36 34.78 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.565 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -69.96 161.9 29.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -125.61 148.48 48.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.95 -155.69 51.04 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.85 130.51 43.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 0.0 110.516 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.62 110.79 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.684 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.84 122.29 23.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.42 104.59 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.739 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -119.97 129.6 54.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.287 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.89 -163.66 0.61 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.0 -56.27 9.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.649 0.261 . . . . 0.0 110.896 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.93 -100.46 1.24 Allowed Glycine 0 N--CA 1.464 0.55 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 21.7 p -111.31 110.51 21.02 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.692 0.29 . . . . 0.0 110.39 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.35 168.08 15.31 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.166 -0.614 . . . . 0.0 111.416 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 66.5 m -127.06 126.16 42.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.52 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.72 173.57 6.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 124.661 1.226 . . . . 0.0 109.392 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 88.1 Cg_exo -44.55 169.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 122.6 2.2 . . . . 0.0 112.857 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . 0.443 ' H ' ' H ' ' F' ' 74' ' ' GLY . 88.9 mm-40 -142.42 114.0 7.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.281 178.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . 0.466 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 120.81 -85.66 0.39 Allowed Glycine 0 CA--C 1.533 1.182 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' E' ' 86' ' ' SER . 0.1 OUTLIER -95.44 -58.56 2.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.002 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.73 103.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.52 120.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.063 0.459 . . . . 0.0 110.299 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.4 99.69 8.89 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.063 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.68 -146.47 15.32 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.6 72.89 0.37 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -52.21 141.09 19.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.86 -44.85 0.77 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 168.84 131.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 110.145 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m -132.86 93.2 3.16 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.628 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -113.87 96.42 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.401 0.438 . . . . 0.0 110.29 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' E' ' 75' ' ' TYR . 49.4 m -145.89 179.92 7.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 0.0 111.165 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -160.42 126.44 4.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.404 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -142.13 -178.54 5.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.52 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 96.4 p -170.02 161.11 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.796 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 40.6 t -162.93 141.05 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.11 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.74 77.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.154 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.32 51.66 0.08 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -96.28 112.4 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.252 -0.179 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -130.94 125.62 33.91 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.035 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.19 105.48 8.59 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.721 0.638 . . . . 0.0 109.755 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.81 167.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.754 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 63.2 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.556 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 56.2 p . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.1 90.2 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -117.86 150.64 38.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.516 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.62 -100.07 0.71 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -143.89 164.17 31.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.788 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 43.1 t -136.14 144.38 45.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.502 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.4 -170.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.588 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 37.0 t -63.03 140.3 58.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -124.81 129.65 50.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.457 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -148.88 126.67 11.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.656 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -67.82 -59.81 3.01 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.364 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 6.4 t -132.27 -163.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.803 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.56 69.04 1.4 Allowed Glycine 0 CA--C 1.52 0.387 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 33.61 79.28 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.912 0.419 . . . . 0.0 111.747 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.74 -62.8 4.61 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.409 -1.077 . . . . 0.0 110.409 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -141.26 78.33 1.64 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 0.0 110.249 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 16.8 t -133.83 128.68 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.138 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -118.69 151.49 37.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.501 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.56 128.51 54.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.522 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -139.43 35.0 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.45 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 83.3 p -70.07 161.92 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -125.64 148.5 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.549 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.96 -155.64 50.99 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.86 130.5 43.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.433 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -170.6 110.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.662 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.9 122.55 24.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.457 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.66 104.83 16.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.72 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -119.9 129.92 54.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.2 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.4 -163.46 0.7 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.02 -56.07 10.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.684 0.278 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.58 -100.32 1.25 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 21.8 p -111.11 111.05 21.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.668 0.27 . . . . 0.0 110.335 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.55 168.02 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.464 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 65.9 m -126.92 125.53 41.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.614 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.06 173.65 6.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.758 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 88.8 Cg_exo -44.23 169.09 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.692 2.261 . . . . 0.0 113.036 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . 0.438 ' H ' ' H ' ' G' ' 74' ' ' GLY . 88.9 mm-40 -142.8 110.4 5.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.904 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . 0.443 ' H ' ' H ' ' E' ' 73' ' ' GLN . . . 123.15 -84.81 0.37 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . 0.41 ' CZ ' ' OG ' ' F' ' 86' ' ' SER . 0.1 OUTLIER -95.6 -59.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.625 0.25 . . . . 0.0 110.663 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.07 103.26 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.43 120.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.378 . . . . 0.0 110.488 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.46 100.03 9.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.79 -146.71 15.46 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.84 72.56 0.42 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -51.72 141.79 16.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.935 0.398 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.54 0.68 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.03 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.743 0.306 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 18.6 m -132.74 93.65 3.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.622 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.35 97.35 6.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . 0.41 ' OG ' ' CZ ' ' F' ' 75' ' ' TYR . 50.0 m -146.36 179.98 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 0.0 111.121 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -160.38 126.33 4.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.338 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.75 -178.31 5.6 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 120.696 0.284 . . . . 0.0 110.714 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -170.47 161.08 7.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.748 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.89 140.74 6.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.988 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.86 78.62 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.851 -0.339 . . . . 0.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.33 52.37 0.07 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.69 112.58 24.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.712 0.291 . . . . 0.0 110.85 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.07 125.46 33.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.964 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.17 8.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.21 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.9 167.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.618 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 t80 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.555 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 55.7 p . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.18 90.17 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -117.78 150.58 38.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.59 -100.04 0.71 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -143.84 164.12 31.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 110.795 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 43.1 t -136.16 144.34 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.545 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.22 -170.55 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.694 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -62.94 140.21 58.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.803 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.9 m -124.78 129.54 50.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.502 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -148.77 126.49 11.79 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.588 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 23.1 m -67.85 -59.78 3.03 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.358 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.33 -163.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.714 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.72 68.78 1.51 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 33.84 79.29 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.974 0.455 . . . . 0.0 111.753 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.9 -62.68 4.76 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.31 78.4 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.799 0.333 . . . . 0.0 110.168 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 16.6 t -133.86 128.7 35.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.092 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -118.7 151.5 37.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.574 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.55 128.43 54.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.536 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 46.0 m -139.32 34.91 2.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.491 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 83.1 p -70.03 161.87 29.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.638 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -125.61 148.42 48.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.534 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.09 -155.65 50.83 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.9 130.42 43.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.464 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.53 110.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.69 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.84 122.42 24.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.541 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.53 104.96 16.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 93.3 m -120.06 129.59 54.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.462 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.23 -163.48 0.67 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.12 -55.75 11.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.708 0.289 . . . . 0.0 110.893 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.35 -100.34 1.27 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.23 110.86 21.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.671 0.272 . . . . 0.0 110.435 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.4 168.01 15.28 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.487 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 65.7 m -126.88 125.6 41.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.616 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.09 173.64 6.6 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.799 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . 0.42 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 89.2 Cg_exo -44.25 169.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.612 2.208 . . . . 0.0 112.992 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . 0.44 ' H ' ' H ' ' H' ' 74' ' ' GLY . 88.6 mm-40 -142.78 110.38 5.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.956 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' F' ' 73' ' ' GLN . . . 123.19 -84.6 0.37 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . 0.41 ' CZ ' ' OG ' ' G' ' 86' ' ' SER . 0.1 OUTLIER -95.8 -59.35 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.665 0.269 . . . . 0.0 110.619 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.12 103.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.56 120.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.829 0.347 . . . . 0.0 110.476 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.51 99.96 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.75 -146.61 15.39 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 72.56 0.42 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -51.69 141.75 16.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.42 -47.53 0.68 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.15 131.09 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.669 0.271 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -132.76 93.64 3.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.548 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.36 97.33 6.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.293 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . 0.41 ' OG ' ' CZ ' ' G' ' 75' ' ' TYR . 50.2 m -146.28 -179.9 7.06 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.149 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -160.48 126.27 4.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.294 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.76 -178.35 5.62 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 120.793 0.33 . . . . 0.0 110.659 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 95.8 p -170.43 161.07 7.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.789 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 40.2 t -163.77 140.75 7.0 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.99 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -142.98 78.69 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.27 52.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -97.67 112.57 24.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.04 125.46 33.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.39 105.13 8.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.199 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.95 167.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.564 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.438 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 56.5 p . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.16 90.26 4.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 70.8 m -117.83 150.65 38.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.581 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.67 -99.99 0.72 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -143.86 164.23 31.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 110.737 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 43.2 t -136.21 144.33 44.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.572 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.31 -170.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.664 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 37.4 t -62.96 140.25 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -124.79 129.64 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.435 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -148.88 126.61 11.78 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.55 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 23.2 m -67.97 -59.77 3.01 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.326 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 6.5 t -132.27 -163.53 1.35 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.913 0.387 . . . . 0.0 110.708 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.67 68.78 1.52 Allowed Glycine 0 CA--C 1.521 0.467 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 33.81 79.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.014 0.479 . . . . 0.0 111.697 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -49.79 -62.77 4.66 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -141.24 78.43 1.64 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.786 0.327 . . . . 0.0 110.213 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 17.0 t -133.9 128.59 34.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.122 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 68.2 m -118.64 151.56 37.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.59 128.48 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 46.2 m -139.36 34.79 2.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.98 161.93 29.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -125.62 148.45 48.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.53 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.98 -155.65 50.98 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.91 130.49 43.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.8 0.334 . . . . 0.0 110.455 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.59 110.72 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.727 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -75.7 122.36 23.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.572 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.56 104.96 16.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.682 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 94.1 m -120.14 129.71 54.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.387 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.31 -163.49 0.68 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.17 -55.69 11.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.617 0.246 . . . . 0.0 110.896 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.37 -100.41 1.28 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 22.1 p -111.27 110.9 21.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.638 0.256 . . . . 0.0 110.43 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.46 168.02 15.16 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.42 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 66.0 m -126.88 125.55 41.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.616 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.04 173.61 6.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.716 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 88.7 Cg_exo -44.3 169.19 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 122.612 2.208 . . . . 0.0 113.045 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . 0.439 ' H ' ' H ' ' I' ' 74' ' ' GLY . 88.7 mm-40 -142.85 110.54 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.892 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . 0.44 ' H ' ' H ' ' G' ' 73' ' ' GLN . . . 123.19 -84.71 0.37 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' H' ' 86' ' ' SER . 0.1 OUTLIER -95.7 -59.3 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.633 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.02 103.32 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.42 120.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 0.0 110.489 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -109.45 99.92 9.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.71 -146.62 15.46 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.86 72.73 0.4 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -51.91 141.83 16.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.964 0.412 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.4 -47.48 0.68 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.11 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.75 0.31 . . . . 0.0 110.297 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -132.73 93.66 3.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.38 97.34 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.242 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' H' ' 75' ' ' TYR . 49.9 m -146.3 -179.95 7.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.21 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -160.46 126.27 4.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.36 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.76 -178.33 5.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.703 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 96.1 p -170.51 161.03 7.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 110.789 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 40.3 t -163.77 140.67 6.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.004 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -142.94 78.88 1.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.329 . . . . 0.0 110.996 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.22 52.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -97.67 112.49 24.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.721 0.296 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.03 125.49 33.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.921 0.391 . . . . 0.0 110.944 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.37 105.22 8.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.193 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.83 167.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 63.0 t80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.547 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 56.3 p . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.23 90.32 4.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -117.93 150.55 39.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.529 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.48 -100.11 0.7 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -143.84 164.17 31.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.74 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 43.0 t -136.18 144.3 44.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.51 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -71.19 -170.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.639 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -62.88 140.31 58.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.809 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -125.02 129.55 50.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.473 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -148.54 127.83 12.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.548 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 21.9 m -69.43 -59.5 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.084 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 6.6 t -132.61 -163.48 1.35 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.662 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 60.63 68.8 1.5 Allowed Glycine 0 CA--C 1.521 0.417 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 33.65 79.82 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.9 0.412 . . . . 0.0 111.598 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.12 -62.84 4.71 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.374 -1.091 . . . . 0.0 110.374 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -141.42 78.77 1.65 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.81 0.338 . . . . 0.0 110.195 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 17.7 t -134.25 128.66 34.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.903 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 68.9 m -118.71 151.5 37.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.517 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.52 128.44 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 47.0 m -139.35 34.89 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.459 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 83.2 p -69.95 161.89 29.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -125.63 148.5 48.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.528 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.92 -155.66 51.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.85 130.42 43.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.751 0.31 . . . . 0.0 110.51 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 28.6 t -170.53 110.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.692 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -75.82 122.44 24.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.508 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -100.7 104.95 16.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.631 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 94.4 m -120.01 129.81 54.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.419 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.47 -163.32 0.7 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.44 -55.58 12.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.186 -0.206 . . . . 0.0 110.748 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.24 -100.51 1.3 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 22.0 p -111.18 110.87 21.58 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.47 168.03 15.14 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.279 -0.569 . . . . 0.0 111.14 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -126.69 126.15 43.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.509 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.36 173.62 6.57 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.617 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -44.7 169.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.521 2.148 . . . . 0.0 112.897 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -142.98 111.01 6.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.308 -0.86 . . . . 0.0 108.957 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . 0.439 ' H ' ' H ' ' H' ' 73' ' ' GLN . . . 123.13 -84.48 0.37 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . 0.409 ' CZ ' ' OG ' ' I' ' 86' ' ' SER . 0.1 OUTLIER -95.35 -59.72 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.969 0.414 . . . . 0.0 110.602 179.817 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.59 103.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.5 120.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.471 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -109.46 99.73 8.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -104.41 -146.57 15.76 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.89 72.66 0.41 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.306 -0.718 . . . . 0.0 111.306 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -51.82 142.05 15.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.96 0.409 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.34 -47.48 0.68 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.12 131.14 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.679 0.276 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 18.8 m -132.75 93.67 3.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.573 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -114.33 97.21 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.224 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . 0.409 ' OG ' ' CZ ' ' I' ' 75' ' ' TYR . 50.1 m -146.43 179.55 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.927 0.394 . . . . 0.0 111.14 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -159.89 126.4 4.37 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -141.8 -178.69 5.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 110.692 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -170.21 161.02 8.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.856 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 40.2 t -163.77 140.87 7.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.003 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -143.17 80.24 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.21 52.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -97.7 112.5 24.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.684 0.278 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -131.17 125.47 33.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.42 105.13 8.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.247 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.94 167.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.569 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 62.7 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.435 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -67.02 165.61 15.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.658 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.0 m -52.55 97.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.769 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.75 -111.3 0.3 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -56.15 142.21 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.709 0.29 . . . . 0.0 110.62 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.2 p -132.9 21.99 4.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.633 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.63 -163.33 1.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.61 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.7 t -94.8 160.33 14.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -136.53 133.23 36.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.212 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -149.71 127.77 11.96 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.523 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.4 ' OG1' HG22 ' B' ' 47' ' ' THR . 4.9 t -83.17 -38.12 22.77 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.2 t -136.98 137.68 39.74 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.693 0.282 . . . . 0.0 110.841 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.35 73.79 0.85 Allowed Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.305 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 28.23 71.51 0.05 Allowed 'General case' 0 N--CA 1.473 0.696 0 O-C-N 124.169 0.57 . . . . 0.0 112.44 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -59.66 93.92 0.06 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.58 92.48 0.08 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.898 0.38 . . . . 0.0 110.071 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -147.47 154.29 40.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.498 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -143.04 146.51 33.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.586 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -126.64 137.56 53.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.337 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -144.99 35.22 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.54 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.2 m -61.31 148.44 41.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.572 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.26 144.88 43.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.52 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.45 -159.77 51.62 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.91 133.63 55.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.448 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 94.2 p -173.01 114.13 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.668 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.5 122.8 25.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.13 101.09 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.6 m -117.45 128.37 54.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.543 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.01 -162.29 1.07 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.74 -56.43 8.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.01 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.46 -97.1 1.13 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.4 p -113.34 110.11 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.357 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.37 164.15 17.45 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.612 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.46 121.8 36.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.307 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.8 p -70.16 170.26 10.79 Favored Pre-proline 0 N--CA 1.464 0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.812 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.69 107.18 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.073 1.849 . . . . 0.0 112.185 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -75.2 113.05 12.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.094 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.92 -92.99 0.22 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.99 -60.12 1.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.174 -0.21 . . . . 0.0 110.819 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.17 108.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.11 101.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.924 0.392 . . . . 0.0 110.885 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 79.3 m -101.15 100.31 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.329 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.01 -143.9 15.68 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.36 76.05 0.16 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -61.36 137.38 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.344 . . . . 0.0 111.232 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.06 -45.82 0.69 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.3 t 171.42 132.87 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.38 -71.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.351 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.81 81.76 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.947 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 t -148.08 -176.66 5.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.5 127.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.109 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -139.65 -176.46 4.56 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 120.799 0.333 . . . . 0.0 111.056 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.1 t -155.94 160.57 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.833 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.2 t -135.65 130.42 34.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.394 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -143.0 95.75 2.82 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.906 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.58 56.42 0.24 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.93 110.85 23.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.729 0.299 . . . . 0.0 110.571 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -141.01 134.65 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.765 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.85 135.53 43.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.163 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 88.0 p -149.05 162.89 39.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.515 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.554 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -66.93 165.56 15.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.619 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.8 m -52.55 97.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.782 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.81 -111.08 0.31 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -56.58 141.98 41.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.846 0.355 . . . . 0.0 110.666 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 79.5 p -132.72 21.85 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.622 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.69 -163.39 1.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.584 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 12.3 t -94.79 160.27 14.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -136.56 133.27 36.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.194 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.67 127.79 12.0 Favored 'General case' 0 C--O 1.222 -0.348 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.9 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.41 ' OG1' HG22 ' C' ' 47' ' ' THR . 4.6 t -83.46 -38.04 22.38 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.84 138.03 40.35 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.86 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 106.68 76.0 0.98 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.446 -0.883 . . . . 0.0 111.985 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' B' ' 49' ' ' GLY . 65.4 m-85 25.99 72.03 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.08 93.98 0.06 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.65 92.39 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.953 0.406 . . . . 0.0 110.074 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.47 154.23 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 46.8 t -143.04 146.54 33.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -126.67 137.41 53.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.393 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 91.8 p -144.81 35.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.594 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 70.1 m -61.23 148.47 40.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.597 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.27 144.83 43.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.56 -159.76 51.47 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.89 133.61 55.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 94.1 p -173.0 113.98 0.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.705 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.32 122.76 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.12 101.11 12.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -117.21 128.48 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.17 -162.12 1.1 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.9 -56.45 8.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.599 0.238 . . . . 0.0 110.881 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -97.45 1.16 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 25.2 p -112.94 110.01 19.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.652 0.263 . . . . 0.0 110.373 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.85 17.41 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.671 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 41.5 t -123.07 121.67 36.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.27 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.4 ' H ' HG23 ' B' ' 71' ' ' THR . 7.0 p -70.16 170.65 9.54 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.83 106.0 0.2 Allowed 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 122.235 1.956 . . . . 0.0 112.397 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -74.02 113.52 11.29 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.381 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.9 -92.76 0.22 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.95 -60.16 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 110.784 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.34 109.05 0.01 OUTLIER Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.07 101.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.921 0.391 . . . . 0.0 110.966 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 82.6 m -100.81 100.0 10.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.375 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.81 -143.14 14.21 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 109.936 -1.266 . . . . 0.0 109.936 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.08 76.27 0.15 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -61.55 137.62 58.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.08 0.467 . . . . 0.0 111.29 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.04 -45.58 0.7 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.37 132.88 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.4 -71.08 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.343 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.91 81.64 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.965 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.94 -176.53 5.31 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.45 127.6 0.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.207 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.62 -176.5 4.58 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 120.814 -0.355 . . . . 0.0 111.235 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.91 160.43 40.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.42 130.35 34.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.513 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -143.17 96.31 2.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.916 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.16 56.82 0.24 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.96 110.72 23.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.73 0.3 . . . . 0.0 110.65 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.67 30.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.747 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.87 135.52 43.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.23 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -148.94 163.0 38.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.55 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.879 -1.058 . . . . 0.0 110.501 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -66.89 165.63 15.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.66 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 70.0 m -52.52 97.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.67 -111.19 0.3 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -56.52 141.98 40.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.348 . . . . 0.0 110.634 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 79.7 p -132.73 21.76 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.649 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.64 -163.41 1.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.583 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 12.3 t -94.79 160.3 14.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.53 133.27 36.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.224 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.67 127.68 11.92 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.937 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . 0.411 ' OG1' HG22 ' D' ' 47' ' ' THR . 4.5 t -83.52 -37.96 22.38 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 43.6 t -136.82 138.03 40.38 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.857 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 106.58 76.09 0.99 Allowed Glycine 0 CA--C 1.523 0.591 0 C-N-CA 120.496 -0.859 . . . . 0.0 111.997 179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' C' ' 49' ' ' GLY . 65.7 m-85 25.9 72.04 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.0 93.88 0.06 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.72 92.32 0.08 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.969 0.414 . . . . 0.0 110.073 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 39.8 t -147.47 154.25 40.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.591 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.07 146.58 33.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.624 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -126.71 137.47 53.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.317 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 91.1 p -144.97 35.28 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -61.37 148.52 41.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.55 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.27 144.9 43.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.43 -159.86 51.71 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.8 133.65 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.455 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 94.4 p -173.04 113.9 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.735 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.26 122.8 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.467 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.12 101.04 11.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 92.7 m -117.21 128.61 55.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.591 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.24 -162.04 1.11 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.96 -56.49 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.578 0.228 . . . . 0.0 110.858 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.77 -97.51 1.15 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -112.97 110.07 19.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.92 17.4 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.162 -0.615 . . . . 0.0 111.609 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 41.4 t -123.17 121.64 36.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.231 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.405 ' H ' HG23 ' C' ' 71' ' ' THR . 6.9 p -70.22 170.79 9.17 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.755 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.84 105.82 0.19 Allowed 'Trans proline' 0 N--CA 1.497 1.721 0 C-N-CA 122.326 2.017 . . . . 0.0 112.389 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.9 113.49 11.12 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.402 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.99 -92.78 0.22 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.85 -60.17 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.35 109.06 0.01 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.02 102.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.924 0.392 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 82.3 m -100.8 100.08 10.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.431 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.79 -143.19 14.32 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.24 76.21 0.15 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.59 137.59 58.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.103 0.478 . . . . 0.0 111.207 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.05 -45.59 0.7 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.33 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.37 -71.16 0.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.362 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.9 81.66 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.938 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -147.96 -176.61 5.34 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.117 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.8 t -171.36 127.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.22 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.49 4.57 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.242 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.87 160.41 40.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.808 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.37 130.31 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.538 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -143.15 96.41 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.001 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.06 56.88 0.24 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -97.04 110.7 23.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.77 0.319 . . . . 0.0 110.502 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.93 134.68 30.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.801 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.87 135.55 43.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.221 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 87.4 p -148.93 162.96 38.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.586 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.028 -0.986 . . . . 0.0 110.559 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -67.01 165.59 15.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -52.55 97.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.827 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.86 -111.07 0.31 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -56.65 141.94 41.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.867 0.365 . . . . 0.0 110.663 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -132.71 21.8 4.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.697 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -132.59 -163.42 1.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.587 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.78 160.37 14.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.033 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 9.3 t -136.73 133.02 35.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.4 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.53 127.72 12.06 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.917 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . 0.411 HG22 ' OG1' ' C' ' 47' ' ' THR . 4.6 t -83.52 -38.11 22.18 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.968 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.64 138.09 40.78 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.908 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 106.67 76.16 0.99 Allowed Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.009 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' D' ' 49' ' ' GLY . 65.9 m-85 25.94 72.02 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 178.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.22 93.99 0.07 OUTLIER Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.68 92.35 0.08 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.987 0.422 . . . . 0.0 110.112 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.43 154.26 40.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.602 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 47.0 t -143.06 146.53 33.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -126.65 137.32 53.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.403 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 91.6 p -144.86 35.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.566 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -61.39 148.39 41.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.18 144.87 43.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.56 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.43 -159.88 51.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.89 133.64 55.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.758 0.313 . . . . 0.0 110.459 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 93.6 p -173.02 114.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.632 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.3 122.95 25.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.499 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.3 100.98 11.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -117.33 128.55 55.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.547 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.17 -162.09 1.1 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.99 -56.23 9.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.482 0.182 . . . . 0.0 110.926 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.43 -97.44 1.17 Allowed Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -113.0 109.85 19.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.586 0.231 . . . . 0.0 110.537 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.31 163.92 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.064 -0.655 . . . . 0.0 111.602 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.07 121.66 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.259 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . 0.406 ' H ' HG23 ' D' ' 71' ' ' THR . 6.9 p -70.21 170.83 9.04 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.724 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.95 105.91 0.2 Allowed 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.207 1.938 . . . . 0.0 112.45 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.97 113.59 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.309 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.89 -92.8 0.22 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.73 -60.32 1.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.37 109.12 0.01 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.08 101.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.975 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 84.5 m -100.86 99.95 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.473 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.75 -143.32 14.57 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.051 -1.219 . . . . 0.0 110.051 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.23 76.25 0.15 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -61.64 137.84 58.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.1 0.476 . . . . 0.0 111.167 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.91 -45.63 0.7 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.41 132.9 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.714 0.292 . . . . 0.0 110.224 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.34 -71.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.344 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.83 81.72 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.96 -176.56 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -171.44 127.58 0.66 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.246 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.49 4.57 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.2 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.9 160.3 40.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.33 130.34 34.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.469 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -143.32 96.33 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.027 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.19 56.83 0.24 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.94 110.71 23.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.703 0.287 . . . . 0.0 110.586 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.74 30.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.792 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.95 135.53 43.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.186 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -148.98 163.09 38.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.518 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.563 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -66.82 165.58 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 67.5 m -51.93 96.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.483 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.94 -111.47 0.26 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -56.34 141.93 39.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 0.0 110.624 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 79.9 p -132.66 21.76 4.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.737 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.61 -163.43 1.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.634 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.78 160.26 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.107 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -136.57 133.32 36.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.273 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -149.95 128.66 12.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.024 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . 0.414 ' OG1' HG22 ' F' ' 47' ' ' THR . 4.8 t -84.62 -40.14 17.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.698 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -131.21 137.16 48.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 108.55 71.66 0.73 Allowed Glycine 0 C--O 1.22 -0.746 0 C-N-CA 118.77 -1.681 . . . . 0.0 112.782 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' E' ' 49' ' ' GLY . 68.3 m-85 25.31 76.3 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.268 0.627 . . . . 0.0 111.418 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.82 91.97 0.07 OUTLIER Glycine 0 CA--C 1.519 0.3 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 69.51 92.58 0.08 Allowed 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 121.013 0.435 . . . . 0.0 110.008 -178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 40.1 t -147.58 154.27 40.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.54 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 47.2 t -142.87 146.9 34.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.499 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -126.83 137.52 53.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.469 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 90.6 p -144.92 35.27 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 69.9 m -61.36 148.44 41.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.532 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.18 144.81 43.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.6 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.51 -159.79 51.56 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.9 133.7 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.445 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 94.4 p -173.11 114.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.651 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.34 122.73 25.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.527 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.16 100.8 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.671 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.09 128.47 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.455 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.8 -162.31 1.0 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -56.97 7.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.591 0.234 . . . . 0.0 110.925 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.06 -97.59 1.14 Allowed Glycine 0 N--CA 1.464 0.541 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.463 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -113.13 109.73 19.27 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.089 0.523 . . . . 0.0 110.236 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.2 164.07 17.85 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.63 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 41.3 t -123.46 122.69 38.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.165 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 7.6 p -71.37 170.83 10.35 Favored Pre-proline 0 CA--C 1.532 0.267 0 O-C-N 124.741 1.276 . . . . 0.0 109.284 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.69 108.34 0.37 Allowed 'Trans proline' 0 N--CA 1.503 2.048 0 C-N-CA 121.62 1.547 . . . . 0.0 111.821 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -75.38 114.39 13.86 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.071 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.33 -92.66 0.22 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.41 -58.92 1.94 Allowed 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.126 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.63 109.98 0.01 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t 55.91 103.13 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.19 0.519 . . . . 0.0 110.704 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 83.7 m -101.21 100.4 10.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.428 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -99.12 -142.73 13.61 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.16 75.65 0.17 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.384 -0.687 . . . . 0.0 111.384 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -61.64 137.44 58.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.189 0.519 . . . . 0.0 111.186 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.18 -43.61 0.77 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 169.33 133.24 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 121.03 0.443 . . . . 0.0 110.053 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.54 -71.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.147 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 53.2 81.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.987 0.805 . . . . 0.0 110.832 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.9 -176.65 5.35 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -171.41 127.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.188 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -139.68 -176.6 4.62 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 121.434 0.635 . . . . 0.0 111.149 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.14 161.38 41.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.813 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 11.0 t -135.7 130.18 33.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -142.39 94.83 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.88 56.7 0.23 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.17 110.55 22.81 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.141 -0.223 . . . . 0.0 110.812 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -140.91 134.73 30.45 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.754 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 49.5 m -133.61 135.29 44.12 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.836 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 88.3 p -148.71 163.05 38.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.561 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 71.6 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.573 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -66.91 165.55 15.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -52.47 97.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.81 -111.15 0.31 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -56.41 141.83 40.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.788 0.328 . . . . 0.0 110.657 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 79.6 p -132.72 21.84 4.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.643 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.66 -163.46 1.35 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.58 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.83 160.34 14.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.036 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -136.52 133.45 36.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.207 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.84 127.71 11.81 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.933 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . 0.414 HG22 ' OG1' ' E' ' 47' ' ' THR . 4.5 t -83.32 -38.23 22.35 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.964 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.67 138.16 40.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 106.35 76.36 1.02 Allowed Glycine 0 C--O 1.223 -0.534 0 C-N-CA 120.331 -0.938 . . . . 0.0 111.95 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' F' ' 49' ' ' GLY . 65.7 m-85 25.54 72.18 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.11 93.85 0.06 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.74 92.35 0.08 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.932 0.396 . . . . 0.0 110.075 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -147.54 154.25 40.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.08 146.54 33.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -126.7 137.4 53.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.436 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 91.1 p -144.83 35.25 1.13 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.639 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -61.38 148.46 41.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.487 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -115.24 144.83 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.591 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.48 -159.86 51.65 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.86 133.68 55.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.443 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 94.0 p -173.02 114.02 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.31 122.8 25.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.478 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.28 101.04 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.16 128.66 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.419 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.26 -161.95 1.1 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -56.66 8.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 110.853 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.76 -97.49 1.15 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 25.4 p -112.88 110.09 19.96 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.43 163.92 17.31 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.568 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -123.16 121.61 36.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.279 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . 0.409 ' H ' HG23 ' F' ' 71' ' ' THR . 7.1 p -70.07 170.77 9.05 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.752 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.89 105.83 0.19 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.277 1.985 . . . . 0.0 112.444 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.93 113.7 11.39 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.306 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.78 -92.99 0.22 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.55 -60.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.788 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.39 109.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 6.0 t 57.04 102.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 82.4 m -100.82 100.19 10.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.414 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.83 -143.24 14.4 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.947 -1.261 . . . . 0.0 109.947 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.23 76.2 0.15 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.61 137.53 58.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 111.252 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 149.04 -45.58 0.7 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.37 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -104.33 -71.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.358 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 52.96 81.67 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.97 -176.51 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 111.07 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -171.51 127.63 0.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.105 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.62 -176.38 4.53 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 111.254 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 48.3 t -155.99 160.38 40.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 11.2 t -135.45 130.4 34.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.511 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.16 96.51 2.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.876 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.01 56.74 0.25 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.86 110.63 23.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.73 0.3 . . . . 0.0 110.62 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.96 134.63 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.764 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.88 135.58 43.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.229 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 87.6 p -148.96 163.01 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.551 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.533 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -66.93 165.6 15.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.613 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 69.8 m -52.52 97.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.767 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.79 -111.21 0.31 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -56.59 141.97 41.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.633 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -132.75 21.9 4.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.626 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.74 -163.48 1.35 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.605 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.75 160.26 14.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.031 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.42 133.21 36.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.27 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.72 127.73 11.92 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.911 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . 0.41 ' OG1' HG22 ' H' ' 47' ' ' THR . 4.5 t -83.62 -38.03 22.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.964 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 43.3 t -136.74 138.13 40.64 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.853 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 106.61 76.05 0.99 Allowed Glycine 0 CA--C 1.524 0.599 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.978 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' G' ' 49' ' ' GLY . 65.3 m-85 25.87 72.17 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.13 93.92 0.06 OUTLIER Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.7 92.36 0.08 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.914 0.388 . . . . 0.0 110.098 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.51 154.19 40.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.578 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 47.1 t -143.03 146.54 33.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.643 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -126.67 137.43 53.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.414 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -144.88 35.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.595 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.9 m -61.4 148.54 41.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.519 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.32 144.88 43.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.46 -159.79 51.62 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.97 133.72 55.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.431 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 94.6 p -173.02 114.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.683 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.3 122.83 25.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.29 101.07 11.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.63 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -117.22 128.54 55.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.26 -162.05 1.12 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.98 -56.49 8.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.6 0.238 . . . . 0.0 110.861 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.68 -97.48 1.16 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -112.95 110.01 19.8 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.39 163.91 17.4 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.613 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 41.5 t -123.09 121.66 36.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.199 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . 0.415 ' H ' HG23 ' G' ' 71' ' ' THR . 6.9 p -70.21 170.83 9.01 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.724 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.88 105.78 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.767 0 C-N-CA 122.258 1.972 . . . . 0.0 112.464 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -73.83 113.56 11.12 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.424 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.0 -92.88 0.22 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.87 -60.17 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.756 0.312 . . . . 0.0 110.865 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.37 109.09 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.04 102.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 83.7 m -100.85 100.02 10.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.73 -143.19 14.31 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.19 76.16 0.15 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -61.65 137.73 58.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.142 0.496 . . . . 0.0 111.161 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.94 -45.57 0.7 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t 171.38 132.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.696 0.284 . . . . 0.0 110.239 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.29 -71.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.395 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.9 81.61 0.08 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.943 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -147.93 -176.5 5.3 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.201 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -171.44 127.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.16 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.68 -176.44 4.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 111.232 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.92 160.42 40.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -135.43 130.37 34.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.486 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -143.18 96.51 2.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.977 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.02 56.86 0.24 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.98 110.81 23.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.619 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -141.0 134.67 30.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.9 135.52 43.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.223 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 87.6 p -148.95 163.07 38.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.546 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.54 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -66.89 165.59 15.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.642 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -52.54 97.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.748 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.79 -111.06 0.31 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -56.56 141.8 41.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.726 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 79.8 p -132.65 21.85 4.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.663 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.7 -163.5 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.8 0.333 . . . . 0.0 110.525 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.77 160.29 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -136.49 133.31 36.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.253 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -149.71 127.7 11.9 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.911 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . 0.41 HG22 ' OG1' ' G' ' 47' ' ' THR . 4.5 t -83.56 -38.01 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.739 -0.384 . . . . 0.0 112.003 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 43.5 t -136.82 137.97 40.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 106.73 76.12 0.99 Allowed Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.971 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' H' ' 49' ' ' GLY . 65.6 m-85 25.84 72.13 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.13 93.95 0.06 OUTLIER Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.66 92.24 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.906 0.384 . . . . 0.0 110.136 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 39.8 t -147.37 154.25 40.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.559 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 47.4 t -143.01 146.49 33.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.68 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -126.59 137.44 53.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.359 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 89.7 p -144.94 35.16 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.556 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 70.1 m -61.35 148.46 41.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.23 144.87 43.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.532 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.45 -159.84 51.68 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -61.86 133.62 55.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.464 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 94.3 p -172.98 114.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.666 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -77.46 122.82 25.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.438 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -100.25 101.06 11.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.613 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 92.9 m -117.25 128.55 55.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.18 -161.91 1.07 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.15 -56.39 9.35 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.916 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -97.45 1.16 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -112.99 110.02 19.8 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.38 163.89 17.43 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.593 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 41.7 t -123.07 121.62 36.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.305 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 6.8 p -70.1 170.86 8.8 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.72 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.93 105.82 0.19 Allowed 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 122.195 1.93 . . . . 0.0 112.473 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.89 113.65 11.29 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.398 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.94 -92.84 0.22 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.77 -60.28 1.68 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.47 109.16 0.01 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.04 101.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 0.0 110.989 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 84.0 m -100.73 100.01 10.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.416 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.74 -143.17 14.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.16 76.31 0.15 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.65 137.61 58.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.205 0.526 . . . . 0.0 111.171 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.99 -45.47 0.7 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 6.1 t 171.33 132.89 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -104.33 -71.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.382 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.79 81.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.946 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 23.3 t -148.0 -176.57 5.33 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -171.43 127.6 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.178 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.61 -176.59 4.61 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.285 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 48.4 t -155.81 160.4 40.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -135.36 130.33 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.514 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -143.18 96.49 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.999 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.08 56.78 0.24 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.84 110.62 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.715 0.293 . . . . 0.0 110.653 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -140.94 134.64 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.803 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 49.4 m -133.85 135.58 43.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.24 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 88.2 p -148.99 163.05 38.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.549 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 71.7 t80 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.562 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -66.88 165.48 15.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.654 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -52.49 97.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.762 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.73 -110.93 0.3 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -56.88 141.68 44.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.986 0.422 . . . . 0.0 110.676 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 79.7 p -132.62 21.7 4.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.683 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -132.48 -163.51 1.35 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.606 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -94.8 160.19 14.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.062 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -136.46 133.28 36.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.308 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -149.53 129.26 13.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.79 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . 0.41 HG22 ' OG1' ' H' ' 47' ' ' THR . 4.6 t -85.4 -38.31 18.84 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.468 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -136.42 138.13 41.2 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 106.69 76.09 0.99 Allowed Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.015 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' I' ' 49' ' ' GLY . 64.4 m-85 25.73 73.35 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 178.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.29 93.93 0.08 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 68.74 92.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.898 0.38 . . . . 0.0 110.071 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 39.7 t -147.26 154.24 40.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.529 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 47.0 t -142.99 146.52 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -126.59 137.41 53.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.423 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 91.0 p -144.89 35.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.518 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -61.33 148.46 41.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.56 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -115.24 144.78 43.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.55 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.54 -159.76 51.5 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.91 133.59 55.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.463 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 94.0 p -172.98 114.12 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -77.41 122.84 25.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.519 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -100.33 101.08 11.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.559 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -117.03 128.78 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.48 -161.81 1.15 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.17 -56.57 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.739 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.75 -97.67 1.17 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -112.79 110.04 19.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.52 163.98 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.314 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 42.0 t -123.12 122.59 38.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.128 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 7.1 p -71.02 170.91 9.68 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.02 105.93 0.2 Allowed 'Trans proline' 0 N--CA 1.498 1.75 0 C-N-CA 122.3 2.0 . . . . 0.0 112.281 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 -73.93 113.78 11.49 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.408 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.05 -92.72 0.21 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.53 -60.33 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 110.955 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.57 109.37 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 5.9 t 57.0 102.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 87.5 m -100.54 99.76 10.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.559 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -98.45 -142.98 13.93 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.14 76.37 0.14 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -61.62 138.15 58.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.229 0.537 . . . . 0.0 111.052 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.79 -45.45 0.71 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 6.0 t 171.34 132.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.5 m -104.25 -71.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.336 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 52.87 81.58 0.08 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -148.13 -176.98 5.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.952 0.406 . . . . 0.0 111.013 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.5 t -171.01 127.65 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.248 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -139.71 -176.86 4.71 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.133 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 48.2 t -155.54 160.41 40.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t -135.21 130.22 34.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.558 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -143.39 97.07 3.01 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.142 0.496 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 119.64 57.23 0.25 Allowed Glycine 0 CA--C 1.526 0.73 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.417 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -96.87 110.57 23.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.76 0.314 . . . . 0.0 110.73 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -140.98 134.73 30.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.786 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 49.3 m -133.89 135.54 43.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.177 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 87.9 p -149.0 162.99 38.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.564 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -133.83 -86.8 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.635 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -60.44 145.43 48.25 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.789 0.328 . . . . 0.0 110.54 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.18 138.21 10.11 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.56 -178.06 4.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 110.563 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.7 t -60.55 138.71 58.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.542 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.28 127.34 19.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -131.41 144.39 51.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.1 m -135.19 132.99 38.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.823 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -139.12 141.97 38.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.29 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.63 -52.34 1.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.166 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -133.71 127.31 32.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.837 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.25 77.18 0.96 Allowed Glycine 0 CA--C 1.527 0.814 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.373 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 34.09 69.84 0.14 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.11 95.23 0.34 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 68.56 97.03 0.06 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.912 0.387 . . . . 0.0 110.518 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 77.9 p -163.85 168.23 19.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.479 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.38 157.15 39.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.551 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.33 131.52 51.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.457 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.2 149.9 45.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.623 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.87 130.94 42.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.464 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.53 152.72 6.37 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.18 132.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.707 0.289 . . . . 0.0 110.61 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 m -118.59 -22.1 7.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.8 126.98 9.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.635 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.46 107.38 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -116.25 129.86 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.11 -161.85 0.49 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.74 -52.49 23.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.7 -111.92 2.43 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.7 p -111.24 104.7 13.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.264 0.554 . . . . 0.0 110.194 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -141.46 140.55 33.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.711 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.7 m -107.05 125.76 51.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.308 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.412 HG22 ' HD2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -84.56 172.94 7.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.069 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HD2' HG22 ' A' ' 71' ' ' THR . 69.4 Cg_exo -47.99 179.3 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.778 2.319 . . . . 0.0 113.909 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -147.11 111.76 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.057 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.76 -80.29 0.35 Allowed Glycine 0 CA--C 1.527 0.83 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -123.18 97.05 5.24 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.163 0.506 . . . . 0.0 110.102 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.88 -87.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.317 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -152.16 171.11 18.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.426 . . . . 0.0 111.3 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.0 p -127.95 147.4 50.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.272 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.87 87.6 0.3 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.35 147.25 4.77 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -91.28 55.25 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.042 0.448 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.29 -71.56 0.6 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -166.65 107.94 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.372 . . . . 0.0 110.554 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.44 83.31 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.331 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.29 133.18 34.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.709 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -154.73 -175.54 5.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.021 0.439 . . . . 0.0 111.348 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -145.91 119.39 9.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.334 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.61 -178.46 7.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -172.22 159.97 4.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.767 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 89.0 p -163.38 166.33 23.0 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.793 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.55 76.18 0.19 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.599 -0.441 . . . . 0.0 111.313 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.79 47.72 0.1 OUTLIER Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.75 118.44 34.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.629 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -131.18 123.97 29.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.87 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.352 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.55 55.68 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.439 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.521 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -133.95 -86.79 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.713 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -60.34 145.36 48.05 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.763 0.315 . . . . 0.0 110.544 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.24 138.28 10.14 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.52 -177.86 4.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.476 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 40.6 t -60.7 138.63 58.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.24 127.34 19.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.3 144.29 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.23 132.79 38.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -138.73 141.68 38.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.431 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.77 -52.35 1.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.146 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.2 t -133.41 127.76 34.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.775 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.61 79.6 1.16 Allowed Glycine 0 CA--C 1.524 0.618 0 C-N-CA 120.403 -0.903 . . . . 0.0 112.0 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.31 70.51 0.09 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.44 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.64 96.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.825 0.345 . . . . 0.0 110.543 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 77.9 p -163.76 168.14 20.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.527 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 92.8 p -153.32 157.18 39.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.598 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.31 131.51 51.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 50.8 m -140.84 23.99 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 70.0 m -71.27 149.99 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.634 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.93 130.98 42.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.443 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.52 152.84 6.44 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.27 132.19 0.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.742 0.306 . . . . 0.0 110.545 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.66 -21.83 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.96 126.86 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.642 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.44 107.35 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.594 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -116.15 130.0 56.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.624 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.32 -161.75 0.52 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.92 -52.46 24.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.698 0.285 . . . . 0.0 110.731 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.86 -112.19 2.47 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.03 104.59 13.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.994 0.426 . . . . 0.0 110.213 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.42 140.37 33.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.702 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 69.9 m -106.68 125.64 51.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.375 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.415 HG22 ' HD2' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -84.23 173.27 7.53 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.942 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.415 ' HD2' HG22 ' B' ' 71' ' ' THR . 78.2 Cg_exo -47.75 -178.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.925 2.417 . . . . 0.0 113.777 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.25 110.75 4.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.053 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.69 -79.99 0.35 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.98 97.04 5.26 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.13 -87.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.479 -0.649 . . . . 0.0 111.479 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -152.05 171.51 17.74 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 66.1 p -128.0 147.77 50.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.223 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.01 87.71 0.3 Allowed Glycine 0 CA--C 1.528 0.844 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.22 147.36 4.8 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 16.1 p90 -91.14 55.76 2.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.912 0.387 . . . . 0.0 110.663 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.57 -71.42 0.58 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.72 107.91 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.764 0.316 . . . . 0.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.35 83.36 2.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.323 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.31 132.76 34.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.806 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 22.4 m -154.29 -175.5 5.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.045 0.45 . . . . 0.0 111.343 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -145.85 119.29 9.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.33 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.59 -178.44 7.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.887 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 45.9 t -172.17 159.93 5.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.787 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 87.7 p -163.36 166.23 23.17 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.012 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.76 78.07 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.19 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.0 47.77 0.09 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.79 118.31 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.322 . . . . 0.0 110.699 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.23 123.86 29.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.672 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.51 129.88 33.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.354 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.6 55.63 6.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.398 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.637 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -133.98 -86.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.664 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 70.7 m -60.24 145.39 47.49 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.755 0.312 . . . . 0.0 110.597 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.27 138.23 10.12 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.57 -177.81 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.785 0.326 . . . . 0.0 110.497 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 40.7 t -60.62 138.65 58.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.498 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.26 127.25 19.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -131.29 144.2 51.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 92.6 m -135.1 132.79 38.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -138.77 141.64 38.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.442 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.73 -52.47 1.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.41 127.88 34.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.737 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.51 79.73 1.17 Allowed Glycine 0 CA--C 1.524 0.631 0 C-N-CA 120.411 -0.899 . . . . 0.0 111.998 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.42 70.48 0.09 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.55 95.29 0.37 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.62 96.86 0.06 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.901 0.381 . . . . 0.0 110.53 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 78.2 p -163.75 168.27 19.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.507 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.44 157.09 39.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.543 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -126.28 131.56 51.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.84 24.05 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.652 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -71.26 149.89 45.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.679 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.75 131.0 42.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.462 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.5 152.78 6.38 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.23 132.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.773 0.321 . . . . 0.0 110.51 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.74 -21.88 7.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.99 126.9 8.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.588 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.48 107.34 8.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.574 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.12 130.04 56.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.568 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.29 -161.78 0.51 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.96 -52.38 25.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.658 0.265 . . . . 0.0 110.768 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.84 -112.12 2.46 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.12 104.62 13.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.04 0.448 . . . . 0.0 110.173 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.4 140.53 33.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.662 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 70.5 m -106.91 125.63 51.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.319 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.416 HG22 ' HD2' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -84.12 173.31 7.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.92 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . 0.416 ' HD2' HG22 ' C' ' 71' ' ' THR . 77.9 Cg_exo -47.72 -178.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.996 2.464 . . . . 0.0 113.73 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.35 110.78 4.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.079 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.74 -79.98 0.35 Allowed Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.03 97.15 5.3 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.1 -87.0 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.07 171.5 17.78 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.256 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 65.3 p -128.03 147.87 50.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.205 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.14 87.81 0.3 Allowed Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.18 147.38 4.81 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -91.22 55.96 2.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.98 0.419 . . . . 0.0 110.678 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.67 -71.37 0.58 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -166.77 107.93 0.66 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.789 0.328 . . . . 0.0 110.571 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.4 83.36 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.279 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.3 132.69 34.02 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.849 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 22.6 m -154.19 -175.37 5.36 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.35 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.85 119.27 9.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.348 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.52 -178.43 7.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.902 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -172.21 159.84 4.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.828 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 87.8 p -163.23 166.34 23.34 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.085 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.8 78.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.16 47.83 0.09 OUTLIER Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.74 118.22 33.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 110.73 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.2 123.95 29.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.667 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.88 33.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.274 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 29.0 t 56.65 55.63 6.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.384 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.535 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -133.94 -86.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.669 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 71.1 m -60.24 145.39 47.48 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.821 0.343 . . . . 0.0 110.613 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.31 138.22 10.11 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.44 -177.84 4.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 110.557 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -60.63 138.62 58.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.524 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.25 127.32 19.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.55 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -131.34 144.23 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.583 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -135.17 132.73 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.782 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.71 141.63 38.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.412 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.75 -52.54 1.9 Allowed 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.032 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 45.9 t -133.29 128.07 34.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.761 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.41 79.64 1.17 Allowed Glycine 0 C--O 1.222 -0.604 0 C-N-CA 120.366 -0.921 . . . . 0.0 111.995 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' E' ' 49' ' ' GLY . 11.7 m-85 31.41 70.56 0.09 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.54 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.68 96.86 0.06 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.848 0.356 . . . . 0.0 110.574 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -163.82 168.21 19.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 93.2 p -153.42 157.08 39.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -126.23 131.58 51.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.454 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 50.9 m -140.9 24.1 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.612 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -71.32 149.95 45.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.628 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.86 131.05 42.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.52 152.76 6.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -174.2 132.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.735 0.302 . . . . 0.0 110.564 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.71 -21.78 7.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.01 126.77 8.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.337 . . . . 0.0 110.573 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.41 107.42 8.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -116.44 129.89 56.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.641 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.1 -161.79 0.48 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -52.16 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.722 0.296 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.5 -112.02 2.47 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.16 104.32 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.956 0.408 . . . . 0.0 110.391 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.32 140.49 33.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 69.6 m -106.74 125.64 51.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.4 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . 0.414 HG22 ' HD2' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -84.27 173.35 7.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.875 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . 0.414 ' HD2' HG22 ' D' ' 71' ' ' THR . 78.5 Cg_exo -47.69 -178.66 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.916 2.41 . . . . 0.0 113.741 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . 0.435 ' H ' ' H ' ' E' ' 74' ' ' GLY . 71.3 mt-30 -149.4 110.73 4.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.032 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.67 -79.96 0.35 Allowed Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.09 97.07 5.26 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.99 -87.09 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 43.4 t -151.96 171.54 17.65 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.257 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 66.5 p -127.91 147.78 50.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.476 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.09 87.7 0.3 Allowed Glycine 0 CA--C 1.528 0.869 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.439 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.18 147.4 4.82 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -91.21 56.07 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.673 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.77 -71.39 0.58 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.78 107.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.619 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.4 83.36 2.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.299 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -137.34 132.65 33.91 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.853 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 22.6 m -154.15 -175.41 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 111.373 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 45.2 t -145.87 119.31 9.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.263 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.51 -178.47 7.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -172.23 159.84 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 87.5 p -163.28 166.23 23.35 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.98 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.84 78.44 0.21 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.28 47.86 0.09 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.76 118.26 33.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.752 0.31 . . . . 0.0 110.755 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.18 123.95 29.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.681 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.55 129.91 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.298 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.54 55.65 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.432 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.626 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -133.59 -89.3 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.27 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 70.9 m -59.02 145.19 42.83 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.782 0.325 . . . . 0.0 110.686 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.15 137.93 9.92 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.3 -177.84 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.737 0.303 . . . . 0.0 110.585 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -60.58 138.69 58.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.507 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.31 127.36 19.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.589 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -131.36 144.22 51.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -135.16 132.87 38.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -138.41 141.82 39.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . 0.401 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -123.21 -50.08 1.92 Allowed 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 119.589 -0.844 . . . . 0.0 112.129 177.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . 0.401 ' N ' HG22 ' E' ' 47' ' ' THR . 47.6 t -131.06 126.04 34.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.856 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' D' ' 50' ' ' TYR . . . 111.76 72.2 0.63 Allowed Glycine 0 C--O 1.217 -0.939 0 C-N-CA 117.78 -2.152 . . . . 0.0 113.576 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' E' ' 49' ' ' GLY . 12.7 m-85 31.29 75.45 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.37 0.605 . . . . 0.0 110.945 -177.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.08 92.9 0.4 Allowed Glycine 0 CA--C 1.518 0.247 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 69.7 96.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.906 0.384 . . . . 0.0 110.496 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -163.87 168.33 19.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.451 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 91.7 p -153.21 157.31 40.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.401 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -126.22 131.71 51.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.752 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.8 24.03 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -71.26 149.93 45.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.681 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.84 130.89 42.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.486 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 152.72 6.51 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.19 132.27 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.506 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 8.9 m -118.68 -21.79 7.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.06 126.67 8.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.557 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -132.21 106.97 8.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.0 129.95 56.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.466 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.91 -162.24 0.48 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.6 -52.84 20.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.693 0.282 . . . . 0.0 110.79 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.13 -112.04 2.41 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.15 104.14 12.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.901 0.381 . . . . 0.0 110.147 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -141.06 141.22 34.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 71.6 m -107.51 126.98 53.2 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.126 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . 0.412 HG22 ' HD2' ' E' ' 72' ' ' PRO . 0.0 OUTLIER -85.22 173.26 7.31 Favored Pre-proline 0 C--N 1.328 -0.365 0 O-C-N 124.551 1.157 . . . . 0.0 109.495 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . 0.412 ' HD2' HG22 ' E' ' 71' ' ' THR . 77.6 Cg_exo -47.79 -179.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.505 2.193 0 C-N-CA 122.999 2.466 . . . . 0.0 113.538 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -148.73 114.12 5.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.608 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . 0.435 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 121.22 -81.33 0.34 Allowed Glycine 0 CA--C 1.543 1.814 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -177.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -121.83 95.48 4.68 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 122.755 -0.262 . . . . 0.0 110.31 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -44.97 -86.66 0.01 OUTLIER Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 43.5 t -152.42 171.52 17.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.013 0.435 . . . . 0.0 111.183 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 66.0 p -127.74 147.29 50.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.173 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -128.76 86.17 0.32 Allowed Glycine 0 CA--C 1.542 1.754 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.825 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.48 146.45 4.53 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -90.18 56.95 3.57 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.718 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -113.72 -70.52 0.53 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 48.1 t -167.21 107.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.591 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 6.3 p -121.22 82.53 1.94 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.215 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -136.99 132.11 33.86 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.803 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 21.4 m -154.08 -176.42 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 111.35 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.24 119.29 9.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.277 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.69 -179.25 8.01 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 46.1 t -170.27 160.39 7.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.781 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 89.9 p -162.75 167.04 23.56 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.205 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.68 77.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.318 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 47.97 0.09 OUTLIER Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -96.34 118.08 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.28 -0.168 . . . . 0.0 110.992 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.33 124.01 29.51 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.609 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.33 129.75 33.95 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.513 0.508 . . . . 0.0 110.017 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.69 55.66 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.502 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.573 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -133.95 -86.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 70.8 m -60.18 145.38 47.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.722 0.296 . . . . 0.0 110.627 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.36 138.2 10.09 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.47 -177.86 4.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.759 0.314 . . . . 0.0 110.614 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -60.65 138.65 58.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.531 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.28 127.3 19.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m -131.4 144.26 51.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 92.2 m -135.13 132.68 38.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.59 141.63 39.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.85 -52.36 1.89 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.035 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.49 127.67 33.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.753 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' E' ' 50' ' ' TYR . . . 108.66 80.02 1.19 Allowed Glycine 0 C--O 1.222 -0.618 0 C-N-CA 120.384 -0.913 . . . . 0.0 111.902 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' F' ' 49' ' ' GLY . 11.6 m-85 30.85 70.73 0.08 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.57 95.25 0.37 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.65 96.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.833 0.349 . . . . 0.0 110.597 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 77.8 p -163.71 168.19 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.467 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 93.5 p -153.39 157.09 39.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.536 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -126.21 131.52 51.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.464 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.621 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.25 149.99 45.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.632 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.89 130.9 42.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.509 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.6 152.74 6.44 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -174.17 132.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.731 0.301 . . . . 0.0 110.539 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.73 -21.75 7.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.1 126.87 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.52 107.29 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.04 130.3 56.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.42 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.49 -161.65 0.54 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -52.65 23.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.655 0.264 . . . . 0.0 110.765 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.97 -112.14 2.45 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.04 104.58 13.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.983 0.42 . . . . 0.0 110.19 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -141.39 140.46 33.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.748 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -106.74 125.67 51.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.329 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . 0.414 HG22 ' HD2' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -84.29 173.31 7.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.896 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . 0.414 ' HD2' HG22 ' F' ' 71' ' ' THR . 78.0 Cg_exo -47.64 -178.6 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.992 2.462 . . . . 0.0 113.75 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.46 110.64 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.023 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.69 -80.07 0.35 Allowed Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.63 96.99 5.25 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.1 -87.06 0.01 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 43.6 t -152.0 171.48 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.208 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 65.2 p -127.97 147.86 50.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.21 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.12 87.75 0.3 Allowed Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.359 -0.697 . . . . 0.0 111.359 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.12 147.41 4.82 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -91.17 55.98 3.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.943 0.401 . . . . 0.0 110.686 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.71 -71.37 0.58 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.75 107.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 110.599 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.32 83.38 2.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.336 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.36 132.61 33.81 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.799 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 22.8 m -154.13 -175.37 5.36 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.378 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.4 t -145.87 119.32 9.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.275 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.55 -178.44 7.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.924 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 46.2 t -172.24 159.86 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.75 0.31 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 87.7 p -163.37 166.37 22.99 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.129 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.73 78.15 0.21 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.188 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.08 47.76 0.09 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.75 118.3 34.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.25 123.91 29.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.659 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.51 129.93 33.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.334 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.5 55.61 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.599 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -133.98 -86.85 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -60.34 145.44 47.74 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.709 0.29 . . . . 0.0 110.581 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.33 138.21 10.09 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.46 -177.77 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.553 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 40.8 t -60.65 138.6 58.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.564 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.24 127.36 19.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -131.34 144.22 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.15 132.68 38.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -138.6 141.67 39.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.485 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.77 -52.37 1.9 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.109 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 45.9 t -133.47 127.99 34.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.73 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.41 79.73 1.18 Allowed Glycine 0 C--O 1.222 -0.601 0 C-N-CA 120.403 -0.903 . . . . 0.0 111.944 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 31.39 70.52 0.09 Allowed 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.52 95.29 0.37 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.67 96.84 0.06 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.801 0.334 . . . . 0.0 110.551 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -163.76 168.24 19.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.489 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 93.1 p -153.43 157.12 39.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.515 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -126.16 131.57 52.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.517 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.92 23.96 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.23 149.95 45.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.608 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.84 130.9 42.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.59 152.7 6.41 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.14 132.28 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.534 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 9.0 m -118.69 -21.88 7.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.96 126.82 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.613 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.36 107.34 8.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.661 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.14 129.97 56.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.535 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.22 -161.7 0.49 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.94 -52.4 24.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.3 . . . . 0.0 110.799 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.74 -112.15 2.47 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.06 104.57 13.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.953 0.406 . . . . 0.0 110.208 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.4 140.47 33.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.69 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 69.8 m -106.7 125.64 51.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.392 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . 0.414 HG22 ' HD2' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -84.2 173.32 7.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.875 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . 0.414 ' HD2' HG22 ' G' ' 71' ' ' THR . 78.1 Cg_exo -47.75 -178.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.874 2.382 . . . . 0.0 113.766 -179.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.48 110.65 4.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.023 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.82 -79.9 0.35 Allowed Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.006 -1.237 . . . . 0.0 110.006 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.16 97.02 5.23 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.04 -86.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.12 171.55 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.197 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 65.0 p -128.03 147.96 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.226 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.19 87.79 0.3 Allowed Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.14 147.38 4.81 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -91.19 56.01 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.939 0.4 . . . . 0.0 110.677 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.7 -71.4 0.58 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 48.4 t -166.76 107.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.732 0.301 . . . . 0.0 110.623 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.39 83.31 2.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.359 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.26 132.55 33.93 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.857 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 22.7 m -154.06 -175.39 5.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 0.0 111.415 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.9 119.27 8.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.319 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.47 -178.49 7.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.923 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 46.0 t -172.13 159.91 5.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.744 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 87.8 p -163.34 166.32 23.12 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.129 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.82 78.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.16 47.78 0.09 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.68 118.28 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 110.712 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -131.28 123.89 29.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.694 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.52 129.82 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.36 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.63 55.63 6.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.439 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.494 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -134.0 -86.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.641 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 70.6 m -60.22 145.43 47.27 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.775 0.321 . . . . 0.0 110.621 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.39 138.24 10.11 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.48 -177.78 4.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.543 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 40.7 t -60.68 138.69 58.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.516 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.29 127.31 19.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.569 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.32 144.2 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.636 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -135.12 132.79 38.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -138.79 141.56 38.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.441 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.81 -52.28 1.9 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.086 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -133.45 127.89 34.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.741 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.48 79.68 1.17 Allowed Glycine 0 C--O 1.222 -0.627 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.003 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 31.35 70.52 0.09 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.51 95.28 0.37 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 68.65 96.81 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.79 0.329 . . . . 0.0 110.613 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 78.1 p -163.8 168.12 20.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.463 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 93.3 p -153.36 157.08 39.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.596 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -126.19 131.56 51.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.442 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 50.7 m -140.86 24.07 2.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 69.8 m -71.27 149.92 45.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.671 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.91 130.95 42.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.62 152.68 6.42 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.11 132.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 0.0 110.532 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.7 -21.8 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -153.05 126.84 8.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.877 0.37 . . . . 0.0 110.562 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.43 107.36 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.636 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.15 130.12 56.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.571 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.35 -161.73 0.52 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.89 -52.42 24.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.681 0.277 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.78 -112.11 2.46 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 20.1 p -111.06 104.46 13.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.977 0.418 . . . . 0.0 110.223 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.23 140.53 33.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.678 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -106.83 125.62 51.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.291 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . 0.413 HG22 ' HD2' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -84.2 173.24 7.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.885 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . 0.413 ' HD2' HG22 ' H' ' 71' ' ' THR . 78.3 Cg_exo -47.68 -178.54 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.918 2.412 . . . . 0.0 113.783 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -149.46 110.77 4.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.032 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.75 -79.96 0.35 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.94 97.02 5.25 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.14 -86.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 43.7 t -152.19 171.49 17.85 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.214 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 65.6 p -127.94 147.91 50.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.221 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.14 87.84 0.3 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.08 147.36 4.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -91.14 56.06 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.647 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -112.78 -71.38 0.58 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 48.3 t -166.75 107.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.609 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 6.5 p -121.41 83.37 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.285 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -137.29 132.58 33.91 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.854 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 22.7 m -154.16 -175.54 5.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.954 0.407 . . . . 0.0 111.39 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 45.3 t -145.73 119.29 9.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.322 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.55 -178.48 7.37 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.894 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 46.0 t -172.14 159.89 5.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 0.0 110.789 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 88.1 p -163.31 166.27 23.23 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.104 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -166.79 78.64 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.113 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.43 47.82 0.09 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -97.76 118.27 33.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.788 0.328 . . . . 0.0 110.737 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -131.22 123.92 29.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.672 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.54 129.82 33.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.385 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 29.1 t 56.6 55.64 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.418 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 65.2 t80 . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.615 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -133.94 -86.89 0.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.647 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 70.3 m -60.18 145.27 47.68 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.697 0.285 . . . . 0.0 110.657 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -129.29 138.26 10.13 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.45 -177.6 4.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.546 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 40.7 t -60.8 138.55 58.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.462 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -141.25 127.3 19.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.634 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -131.29 144.06 51.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.616 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -135.07 132.59 38.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.999 0.428 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -138.8 140.66 38.64 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.581 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.06 -52.62 1.97 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.161 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 45.2 t -133.21 128.31 35.64 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.733 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 108.34 79.59 1.17 Allowed Glycine 0 C--O 1.223 -0.589 0 C-N-CA 120.337 -0.935 . . . . 0.0 111.954 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' I' ' 49' ' ' GLY . 11.4 m-85 31.08 72.11 0.07 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.7 95.31 0.46 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 68.6 96.49 0.06 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 110.577 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -163.4 168.3 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.482 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 92.9 p -153.43 157.1 39.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.494 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -126.21 131.5 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.514 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 50.6 m -140.81 24.02 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.601 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -71.2 149.92 45.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.645 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.97 130.8 42.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.431 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 152.6 6.42 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -174.01 132.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.526 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 9.2 m -118.62 -21.98 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -152.89 126.83 8.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 110.593 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -132.48 107.35 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.634 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -116.01 130.22 56.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.517 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.46 -161.64 0.53 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.02 -52.46 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.564 0.221 . . . . 0.0 110.692 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.87 -112.26 2.48 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 21.1 p -110.85 104.28 12.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.75 0.31 . . . . 0.0 110.194 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -141.27 140.57 33.91 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.549 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 69.4 m -106.63 126.15 51.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.282 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . 0.408 HG22 ' HD2' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -84.54 173.23 7.52 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.69 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . 0.408 ' HD2' HG22 ' I' ' 71' ' ' THR . 76.3 Cg_exo -47.99 -178.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 122.998 2.465 . . . . 0.0 113.498 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -149.49 111.19 4.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.096 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.83 -79.75 0.35 Allowed Glycine 0 CA--C 1.528 0.904 0 N-CA-C 109.983 -1.247 . . . . 0.0 109.983 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -122.84 96.93 5.21 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.8 -86.48 0.01 OUTLIER Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 44.4 t -152.36 171.57 17.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.136 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 62.9 p -127.71 148.41 50.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.21 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -130.41 88.03 0.3 Allowed Glycine 0 CA--C 1.527 0.803 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.417 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.88 147.59 4.86 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -91.22 56.66 3.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.923 0.392 . . . . 0.0 110.569 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -113.01 -71.35 0.57 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 48.2 t -166.82 108.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.729 0.299 . . . . 0.0 110.573 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 6.4 p -121.54 83.32 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.295 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -137.19 132.47 33.96 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.652 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 24.1 m -154.15 -176.2 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.971 0.415 . . . . 0.0 111.271 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -145.11 119.27 9.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.371 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.72 -179.13 7.9 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.867 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 45.8 t -171.44 160.03 5.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 90.1 p -163.3 166.19 23.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.17 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -166.85 80.11 0.22 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 47.81 0.08 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -97.85 118.22 33.91 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.707 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -131.32 123.95 29.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.601 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.57 129.96 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.314 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 56.59 55.52 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.457 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.557 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -129.16 141.45 51.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.557 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.29 96.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.768 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.67 147.94 18.89 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.11 -178.16 4.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.769 0.319 . . . . 0.0 110.607 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.3 p -67.31 158.92 30.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.782 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -160.74 128.28 4.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.523 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.71 118.16 14.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.596 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -120.08 132.33 55.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.821 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -149.93 126.29 10.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.5 m -53.93 -54.21 41.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.341 0.591 . . . . 0.0 110.038 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 66' ' ' TYR . 7.9 p -132.31 -100.41 0.28 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.244 178.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.28 50.46 28.88 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.625 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.52 -166.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.515 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.47 -53.07 1.26 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.79 -82.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.402 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.64 127.3 40.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.906 0.384 . . . . 0.0 110.771 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.9 t -100.86 123.73 45.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.195 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -97.53 143.92 27.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 111.045 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.39 26.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.322 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.5 m -86.49 -178.84 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.959 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.53 44.17 21.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.91 -176.35 41.95 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -100.28 26.0 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.366 . . . . 0.0 110.368 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.3 137.04 42.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -94.01 103.9 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.537 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -93.89 101.39 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.367 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.5 m -112.67 132.28 55.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.84 -160.25 0.09 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 48' ' ' SER . 2.0 m-85 -47.28 -53.37 13.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 111.102 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.47 -108.93 2.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.0 p -109.66 102.74 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.079 0.466 . . . . 0.0 110.312 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -159.09 177.63 10.89 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.239 -0.584 . . . . 0.0 111.68 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.5 t -131.42 122.2 25.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.229 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.59 173.21 7.75 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.077 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -45.42 171.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.651 2.234 . . . . 0.0 113.577 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.27 112.01 5.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.596 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.1 95.36 0.43 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 -178.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 66.42 69.13 0.43 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.484 0.659 . . . . 0.0 110.147 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.32 101.84 2.77 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.09 100.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.033 0.444 . . . . 0.0 110.827 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.76 149.65 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.39 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.83 92.92 0.19 Allowed Glycine 0 CA--C 1.528 0.884 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.68 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.44 130.28 2.88 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -92.2 54.6 2.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 110.779 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.38 68.52 0.53 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.975 0.417 . . . . 0.0 110.871 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.74 88.79 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.145 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.73 122.27 32.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.583 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.4 m -149.79 -179.0 6.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.962 0.411 . . . . 0.0 111.089 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -149.26 143.3 25.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.88 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.27 -175.34 1.39 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.434 -0.507 . . . . 0.0 111.338 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -161.52 170.89 19.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.739 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.3 112.53 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.426 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -121.46 98.11 5.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.934 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.97 53.01 0.1 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.91 104.96 17.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.54 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.28 143.57 37.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.728 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.5 m -133.25 119.76 20.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.447 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.61 -163.18 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.619 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.588 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -129.16 141.43 51.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.35 96.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.723 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.65 148.07 18.89 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.19 -177.74 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.745 0.307 . . . . 0.0 110.616 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 83.3 p -67.65 158.89 31.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.726 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -160.61 128.16 4.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.492 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.53 118.21 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.758 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -120.13 132.63 55.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.796 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.2 126.18 10.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.245 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.08 -54.38 40.21 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.402 ' HB2' ' CZ ' ' B' ' 66' ' ' TYR . 7.0 p -132.09 -100.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.21 52.47 22.71 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.373 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.45 -166.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.738 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.83 -53.06 1.22 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.84 -82.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.611 0.243 . . . . 0.0 110.362 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 78.7 p -129.57 127.35 40.52 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.794 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -100.83 123.61 45.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.212 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.37 143.83 27.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.125 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.45 26.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.363 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 60.1 m -86.54 -178.95 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.917 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.55 44.12 21.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.99 -176.3 42.02 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.3 25.98 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.335 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.29 136.89 42.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.726 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.86 103.88 15.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.587 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -94.0 101.32 13.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.395 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -112.37 132.5 54.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.11 -160.1 0.1 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' B' ' 48' ' ' SER . 2.0 m-85 -47.49 -53.26 14.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.599 0.238 . . . . 0.0 111.014 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.45 -109.11 2.92 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.514 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 27.0 p -109.32 102.49 11.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.683 0.278 . . . . 0.0 110.386 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.92 177.96 10.59 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.012 -0.675 . . . . 0.0 111.709 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.58 122.08 25.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.14 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 173.45 7.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.955 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 81.1 Cg_exo -45.32 173.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.793 2.328 . . . . 0.0 113.391 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -148.86 111.49 4.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.817 -1.083 . . . . 0.0 108.586 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.62 95.37 0.47 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.371 -1.492 . . . . 0.0 109.371 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.68 68.83 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.141 0.496 . . . . 0.0 109.955 -178.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.33 101.07 2.69 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.14 99.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 110.718 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.76 150.28 47.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.599 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.22 92.99 0.18 Allowed Glycine 0 CA--C 1.527 0.802 0 C-N-CA 120.976 -0.631 . . . . 0.0 111.586 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.33 130.32 2.89 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -92.14 55.09 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.721 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.83 68.76 0.53 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.901 0.381 . . . . 0.0 110.861 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.75 88.9 2.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.124 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.76 122.22 32.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.54 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.65 -179.01 6.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.009 0.433 . . . . 0.0 111.108 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.23 143.19 25.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.847 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.26 -175.25 1.37 Allowed 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.582 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -161.48 170.81 19.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.718 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.17 112.57 4.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.527 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -121.74 98.93 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.34 53.33 0.11 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.99 104.88 16.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.562 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.29 143.61 37.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.749 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.34 119.76 20.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.494 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.72 -163.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.582 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 56.4 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.547 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -129.17 141.46 51.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.558 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.29 96.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.722 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.67 148.11 18.88 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.16 -177.69 4.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.763 0.316 . . . . 0.0 110.596 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 83.1 p -67.6 158.83 31.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.791 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -160.59 128.26 4.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.477 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.52 118.2 14.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.745 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -120.1 132.57 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.23 126.21 10.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.213 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -54.21 -54.26 42.29 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.992 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . 0.403 ' HB2' ' CZ ' ' C' ' 66' ' ' TYR . 7.2 p -132.11 -100.4 0.28 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.08 178.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.33 52.48 23.2 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.333 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.28 -166.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.786 0.327 . . . . 0.0 110.796 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.93 -52.94 1.22 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.94 -82.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.642 0.258 . . . . 0.0 110.373 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 78.5 p -129.48 127.25 40.48 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.783 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 36.3 t -100.73 123.61 45.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.268 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.49 143.9 27.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.053 0.454 . . . . 0.0 111.046 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.49 26.9 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.293 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -86.5 -178.89 6.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.44 44.18 21.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.05 -176.28 42.06 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -100.28 26.0 7.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.764 0.316 . . . . 0.0 110.398 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 69.4 m -54.38 136.89 43.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.804 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.85 103.99 16.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.532 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -94.06 101.24 13.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.453 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -112.25 132.56 54.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.808 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.27 -160.0 0.1 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' C' ' 48' ' ' SER . 2.0 m-85 -47.57 -53.2 15.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.564 0.221 . . . . 0.0 110.994 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.42 -109.17 2.94 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.34 102.44 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.732 0.301 . . . . 0.0 110.366 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.87 178.03 10.52 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.682 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.6 122.05 25.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.166 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.18 173.52 7.38 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.965 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' D' ' 72' ' ' PRO . 80.6 Cg_exo -45.26 173.35 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.752 2.301 . . . . 0.0 113.381 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.02 111.4 4.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.495 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.8 95.3 0.48 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.62 68.91 0.42 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.214 0.53 . . . . 0.0 109.993 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.31 101.03 2.68 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.19 99.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.059 0.457 . . . . 0.0 110.767 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.69 150.24 47.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.575 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.26 93.02 0.18 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.506 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.31 130.3 2.89 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -92.09 55.17 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.703 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.87 68.66 0.53 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.49 107.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.75 88.88 2.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.095 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.67 122.11 32.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.623 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.62 -178.96 6.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.947 0.403 . . . . 0.0 111.086 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.24 143.22 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.917 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.25 -175.32 1.39 Allowed 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.628 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.44 170.8 19.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.71 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.12 112.65 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.464 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -121.85 99.06 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.43 53.34 0.11 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.95 104.93 16.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.708 0.29 . . . . 0.0 110.629 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.36 143.58 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.74 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 24.3 m -133.3 119.58 19.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.508 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.81 -163.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.615 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -129.2 141.43 51.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.29 96.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.749 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.72 147.99 18.89 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.16 -177.7 4.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.453 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 83.0 p -67.55 158.74 31.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -160.62 128.21 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 44.6 t -136.48 118.31 15.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.789 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 91.9 m -120.26 132.52 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.826 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.15 126.25 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.208 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 17.5 m -54.24 -54.15 43.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.982 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . 0.402 ' HB2' ' CZ ' ' D' ' 66' ' ' TYR . 6.7 p -132.31 -100.15 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 178.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.15 52.67 21.83 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.402 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.33 -166.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 110.625 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 -53.03 1.21 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.86 -82.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.599 0.237 . . . . 0.0 110.372 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 78.7 p -129.52 127.27 40.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.379 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.84 123.66 45.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.231 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -97.49 143.82 27.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.994 0.426 . . . . 0.0 111.086 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.35 26.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.272 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.9 m -86.53 -178.92 6.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.937 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.46 44.24 21.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.04 -176.23 42.06 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -100.4 25.99 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.301 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 69.3 m -54.31 136.85 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.84 103.92 16.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.52 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.01 101.26 13.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.447 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -112.4 132.46 55.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.962 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.0 -160.12 0.09 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' D' ' 48' ' ' SER . 2.0 m-85 -47.51 -53.01 15.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.569 0.224 . . . . 0.0 111.093 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.15 -109.01 2.93 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.41 102.23 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.712 0.291 . . . . 0.0 110.549 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.74 178.05 10.52 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.748 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 42.5 t -131.6 122.07 25.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.148 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.24 173.53 7.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.903 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 80.3 Cg_exo -45.26 173.36 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.699 2.266 . . . . 0.0 113.455 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.03 111.39 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.483 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.74 95.28 0.48 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.57 69.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.195 0.522 . . . . 0.0 109.955 -178.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.37 101.1 2.69 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.09 99.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.117 0.484 . . . . 0.0 110.854 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.64 150.22 47.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.725 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.25 93.02 0.18 Allowed Glycine 0 CA--C 1.527 0.799 0 C-N-CA 121.012 -0.614 . . . . 0.0 111.606 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.23 130.28 2.9 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -92.06 55.19 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.8 68.65 0.53 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.48 107.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.968 0.414 . . . . 0.0 110.855 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.72 88.92 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.124 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.7 122.16 32.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.644 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 72.3 m -149.69 -178.98 6.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.961 0.41 . . . . 0.0 111.094 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -149.2 143.19 25.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.913 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.28 -175.26 1.37 Allowed 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.651 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.5 170.74 19.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.729 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.1 112.55 4.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.474 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -121.93 99.0 6.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.38 53.45 0.11 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.97 104.75 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.749 0.309 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.28 143.55 37.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.742 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.21 119.67 20.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.77 -163.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.577 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -129.29 141.31 51.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.628 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.39 96.49 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.079 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.83 148.14 18.88 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.05 -177.69 4.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.704 0.288 . . . . 0.0 110.631 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 83.3 p -67.68 158.87 31.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.764 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -160.61 128.22 4.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.449 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -136.57 118.28 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.722 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 92.5 m -120.19 132.41 55.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.816 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -149.91 127.14 11.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.31 0.576 . . . . 0.0 110.207 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 16.6 m -56.08 -53.77 52.98 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.122 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . 0.404 ' HB2' ' CZ ' ' E' ' 66' ' ' TYR . 7.4 p -130.56 -100.16 0.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.696 177.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 51.22 48.92 45.9 Favored Glycine 0 C--N 1.341 0.832 0 C-N-CA 119.739 -1.22 . . . . 0.0 111.806 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.49 -166.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.16 0.505 . . . . 0.0 110.3 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.64 -52.76 1.18 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -162.63 -84.42 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 78.3 p -128.51 127.52 42.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.895 0.378 . . . . 0.0 110.482 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 33.7 t -101.74 123.69 46.13 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.091 0.472 . . . . 0.0 109.867 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.5 143.91 27.73 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.058 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.49 26.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.276 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 60.1 m -86.56 -179.02 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.939 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.65 44.13 21.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.04 -176.26 42.05 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.33 25.92 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.742 0.306 . . . . 0.0 110.365 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 69.5 m -54.16 136.87 41.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.731 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.86 103.89 15.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.07 101.33 13.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.413 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -112.36 132.43 55.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.721 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.3 -161.89 0.11 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' E' ' 48' ' ' SER . 2.0 m-85 -46.39 -53.87 10.17 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 120.659 0.266 . . . . 0.0 110.778 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.7 -109.06 2.88 Favored Glycine 0 N--CA 1.466 0.651 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 27.3 p -109.71 102.4 11.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.985 0.462 . . . . 0.0 110.083 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.91 178.13 10.41 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.037 -0.665 . . . . 0.0 111.734 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 41.8 t -131.98 122.93 26.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 118.822 -0.608 . . . . 0.0 110.148 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.19 173.54 7.14 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 125.23 1.582 . . . . 0.0 109.325 -178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . 0.413 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 83.0 Cg_exo -45.57 173.59 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.681 2.254 . . . . 0.0 113.27 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.74 114.15 5.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.627 -1.17 . . . . 0.0 107.913 178.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.19 95.16 0.37 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 67.51 67.57 0.38 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.499 -178.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.36 104.51 3.05 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 119.729 -1.224 . . . . 0.0 110.101 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.99 101.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.467 0.651 . . . . 0.0 110.589 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.39 149.89 49.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.427 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.46 91.2 0.18 Allowed Glycine 0 CA--C 1.536 1.401 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.754 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.83 129.44 2.78 Favored Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -90.42 55.44 3.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.976 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.54 68.83 0.52 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.9 108.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.96 0.41 . . . . 0.0 110.662 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.9 87.94 2.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.067 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.37 121.25 30.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.519 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 72.6 m -149.28 -179.1 6.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.059 0.457 . . . . 0.0 111.084 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.7 t -149.13 143.18 25.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.886 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.32 -175.19 1.35 Allowed 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.536 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.02 171.32 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.731 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.32 112.54 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.782 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -121.14 98.21 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.9 52.72 0.1 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -96.12 104.77 16.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.649 0.262 . . . . 0.0 110.742 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.31 143.51 37.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.741 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 23.9 m -133.04 119.47 20.09 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.264 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.84 -163.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.605 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 56.2 t80 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.555 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -129.08 141.49 51.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.609 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.26 96.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.727 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.77 148.14 18.88 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.15 -177.62 4.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.798 0.333 . . . . 0.0 110.658 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 83.3 p -67.75 158.82 31.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.703 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -160.56 128.18 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.478 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.5 118.11 14.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.709 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 92.3 m -120.02 132.72 55.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.763 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -150.33 126.23 10.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.292 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.19 -54.52 38.74 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.896 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . 0.4 ' HB2' ' CZ ' ' F' ' 66' ' ' TYR . 6.8 p -131.96 -100.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.28 52.54 22.82 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.332 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.26 -166.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.8 0.333 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.94 -52.98 1.22 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.97 -82.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.6 127.38 40.52 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.818 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.94 123.65 45.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.189 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -97.36 143.92 27.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.46 26.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.333 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.8 m -86.5 -178.94 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.52 44.17 21.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.03 -176.26 42.04 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.33 26.02 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.403 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 69.7 m -54.35 136.98 42.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -93.94 104.02 16.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.16 101.24 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.417 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 97.9 m -112.17 132.67 54.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.28 -159.88 0.1 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' F' ' 48' ' ' SER . 2.0 m-85 -47.48 -53.51 14.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.62 0.248 . . . . 0.0 110.969 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.61 -109.28 2.93 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 26.9 p -109.23 102.67 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.704 0.287 . . . . 0.0 110.354 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.97 178.12 10.41 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.039 -0.665 . . . . 0.0 111.74 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -131.69 122.0 25.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.128 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.23 173.57 7.3 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.965 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . 0.409 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 81.4 Cg_exo -45.32 173.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.754 2.303 . . . . 0.0 113.377 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.07 111.3 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.779 -1.101 . . . . 0.0 108.49 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.83 95.38 0.48 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.81 68.59 0.41 Allowed 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 121.168 0.509 . . . . 0.0 109.972 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.14 101.09 2.68 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.08 99.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 110.774 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.59 150.28 47.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.625 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.23 93.06 0.18 Allowed Glycine 0 CA--C 1.527 0.842 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.603 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.31 130.3 2.89 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -92.12 55.23 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.956 0.408 . . . . 0.0 110.667 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.91 68.64 0.53 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.45 107.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.928 0.394 . . . . 0.0 110.913 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.77 88.84 2.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.173 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.73 122.14 32.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.65 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 71.8 m -149.53 -178.9 6.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.954 0.406 . . . . 0.0 111.081 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -149.27 143.21 25.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.861 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.23 -175.14 1.36 Allowed 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 120.311 -0.555 . . . . 0.0 111.624 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -161.64 170.83 19.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.16 112.5 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.526 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.66 99.04 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.831 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.31 53.48 0.11 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.03 104.82 16.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.735 0.303 . . . . 0.0 110.613 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -139.27 143.58 38.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.722 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 23.9 m -133.24 119.66 20.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.597 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 7.9 t 50.68 -163.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.605 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.592 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -129.15 141.46 51.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.35 96.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.678 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.69 148.01 18.89 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.08 -177.64 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.753 0.311 . . . . 0.0 110.651 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 83.2 p -67.6 158.77 31.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.827 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 tm0? -160.59 128.28 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 44.6 t -136.57 118.2 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.727 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 92.4 m -120.14 132.59 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.788 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -150.16 126.15 10.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.269 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 17.6 m -54.16 -54.34 41.0 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.955 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . 0.401 ' HB2' ' CZ ' ' G' ' 66' ' ' TYR . 6.9 p -132.08 -100.21 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.11 52.61 21.86 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.393 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.31 -166.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.97 -53.08 1.2 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.88 -82.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.612 0.244 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.51 127.4 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 36.0 t -100.91 123.59 45.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.228 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -97.48 143.89 27.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.991 0.424 . . . . 0.0 111.047 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.39 26.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.341 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 60.2 m -86.45 -178.97 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.953 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.6 44.05 21.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.871 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.06 -176.33 42.05 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.3 26.02 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.376 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -54.33 137.03 42.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.722 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.96 103.86 15.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.572 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.03 101.29 13.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.466 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.2 m -112.28 132.66 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.23 -160.03 0.1 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . 0.401 ' CZ ' ' HB2' ' G' ' 48' ' ' SER . 2.0 m-85 -47.47 -53.3 14.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.571 0.224 . . . . 0.0 111.05 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.42 -109.07 2.91 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -109.41 102.54 11.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.31 . . . . 0.0 110.332 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.92 178.15 10.39 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.018 -0.673 . . . . 0.0 111.745 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 42.4 t -131.71 121.98 25.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.077 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.2 173.53 7.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . 0.409 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 82.5 Cg_exo -45.34 173.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.829 2.353 . . . . 0.0 113.348 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.01 111.4 4.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.45 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.75 95.39 0.48 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.59 68.88 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.23 0.538 . . . . 0.0 109.962 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.25 101.18 2.7 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.1 99.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.036 0.446 . . . . 0.0 110.779 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.76 150.27 47.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.627 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.21 92.96 0.18 Allowed Glycine 0 CA--C 1.529 0.918 0 C-N-CA 120.957 -0.64 . . . . 0.0 111.536 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.34 130.44 2.9 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -92.21 55.25 2.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.954 0.407 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.9 68.66 0.53 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.47 107.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.964 0.411 . . . . 0.0 110.895 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.71 88.92 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.139 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -127.7 122.07 31.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.675 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.57 -178.89 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.411 . . . . 0.0 111.132 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.6 t -149.27 143.16 25.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.854 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.12 -175.16 1.39 Allowed 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.627 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -161.55 170.75 19.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.751 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.11 112.68 4.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.87 99.0 6.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.36 53.43 0.11 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.97 104.79 16.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.578 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.26 143.6 38.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.761 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 24.6 m -133.3 119.7 20.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.503 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.7 -163.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.518 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.639 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -129.09 141.48 51.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.647 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t 63.31 96.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.7 148.03 18.89 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -126.13 -177.57 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.722 0.296 . . . . 0.0 110.657 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 83.1 p -67.7 158.75 31.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -160.56 128.18 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.488 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 44.4 t -136.49 118.26 15.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.714 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 92.2 m -120.19 132.61 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.782 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -150.24 126.27 10.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.243 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -54.29 -54.32 41.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.949 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . 0.402 ' HB2' ' CZ ' ' H' ' 66' ' ' TYR . 6.9 p -132.01 -100.33 0.29 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 49.26 52.48 22.91 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.376 178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.34 -166.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 0.0 110.78 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.03 -53.11 1.2 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -162.89 -82.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.617 0.246 . . . . 0.0 110.362 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.49 127.4 40.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.826 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -100.85 123.6 45.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.218 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -97.45 143.9 27.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.4 26.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.301 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 60.5 m -86.45 -179.03 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.935 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 57.65 44.11 21.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.815 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.98 -176.28 42.01 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.26 25.95 7.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 110.419 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -54.2 136.92 42.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.724 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.9 103.88 15.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.551 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -94.03 101.27 13.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.422 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.5 m -112.28 132.62 54.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.784 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.16 -159.93 0.1 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' H' ' 48' ' ' SER . 2.0 m-85 -47.62 -53.27 15.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.518 0.199 . . . . 0.0 110.999 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.45 -109.22 2.94 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.492 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 27.0 p -109.36 102.56 11.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.739 0.304 . . . . 0.0 110.393 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.86 178.08 10.47 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.047 -0.661 . . . . 0.0 111.75 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -131.67 122.06 25.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.145 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.26 173.48 7.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.958 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . 0.408 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 81.7 Cg_exo -45.28 173.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.722 2.281 . . . . 0.0 113.372 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.03 111.39 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.544 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.79 95.36 0.48 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.62 68.91 0.42 Allowed 'General case' 0 C--O 1.222 -0.348 0 CA-C-O 121.235 0.541 . . . . 0.0 109.945 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.38 101.1 2.69 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.19 99.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.008 0.433 . . . . 0.0 110.729 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.56 150.35 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.661 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.3 93.04 0.18 Allowed Glycine 0 CA--C 1.528 0.845 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.575 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.3 130.39 2.9 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -92.07 55.27 2.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.937 0.398 . . . . 0.0 110.752 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.92 68.7 0.53 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.49 107.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.0 110.867 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.76 88.92 2.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.068 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.75 122.09 31.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.648 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 72.0 m -149.53 -178.98 6.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.024 0.44 . . . . 0.0 111.159 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -149.18 143.12 25.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.859 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.16 -175.23 1.4 Allowed 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.649 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.7 p -161.52 170.69 19.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.704 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.03 112.61 4.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.554 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -121.91 99.17 6.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.795 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.21 53.53 0.11 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.0 104.78 16.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 110.573 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.26 143.61 38.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.713 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 24.3 m -133.31 119.69 20.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.491 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.64 -163.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.576 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 56.3 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.552 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -129.14 141.51 51.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.537 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 2.0 t 63.27 96.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.655 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.77 148.04 18.88 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -125.93 -177.26 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 0.0 110.57 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 82.9 p -67.96 158.7 32.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.787 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -160.54 128.22 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.496 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 44.5 t -136.41 118.68 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.714 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 90.8 m -120.75 132.67 55.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.17 0.51 . . . . 0.0 110.697 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -150.2 127.07 11.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.25 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 17.7 m -55.35 -54.14 47.33 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.805 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . 0.401 ' HB2' ' CZ ' ' I' ' 66' ' ' TYR . 6.2 p -132.03 -99.21 0.3 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.37 52.7 18.09 Favored Glycine 0 C--N 1.334 0.439 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.403 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 45.55 -165.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.892 0.377 . . . . 0.0 110.731 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.66 -53.25 1.14 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -162.66 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.605 0.241 . . . . 0.0 110.411 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 78.6 p -129.54 127.71 41.3 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.643 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 35.9 t -101.09 123.64 45.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.229 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -97.53 143.84 27.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.932 0.396 . . . . 0.0 111.095 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.35 26.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.32 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -86.5 -179.04 6.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.907 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 57.68 44.16 21.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.0 -176.27 42.03 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -100.28 25.94 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.416 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 69.9 m -54.3 137.0 42.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.736 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -93.91 103.93 16.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -94.19 101.24 13.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.379 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -112.11 132.89 54.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.757 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.48 -159.83 0.11 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . 0.401 ' CZ ' ' HB2' ' I' ' 48' ' ' SER . 2.1 m-85 -47.8 -53.13 16.39 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.24 -0.184 . . . . 0.0 110.881 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.51 -109.43 2.98 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.442 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 27.6 p -109.25 102.52 11.45 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -158.99 178.16 10.37 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.407 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 42.2 t -131.56 122.57 26.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.997 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.47 173.39 7.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.771 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -45.51 173.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.71 2.273 . . . . 0.0 113.263 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.16 111.71 4.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.545 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.65 95.61 0.47 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 66.58 68.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 109.972 -178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.84 101.49 2.71 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.86 99.55 0.05 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.936 0.398 . . . . 0.0 110.602 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.15 150.95 44.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.761 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.55 93.14 0.18 Allowed Glycine 0 CA--C 1.528 0.856 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.499 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.18 130.51 2.92 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -92.19 55.75 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.854 0.359 . . . . 0.0 110.593 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.19 68.74 0.52 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.47 107.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.959 0.409 . . . . 0.0 110.862 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.83 88.81 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.112 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -127.57 122.11 32.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 71.9 m -149.57 -179.3 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.99 0.424 . . . . 0.0 111.193 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.5 t -148.94 143.18 26.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.911 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -172.35 -175.57 1.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.559 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.3 p -161.13 170.8 19.69 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.8 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.88 112.61 4.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.486 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -122.11 99.74 6.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.134 0.493 . . . . 0.0 110.748 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.78 53.93 0.11 Allowed Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.344 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.0 104.73 16.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.698 0.285 . . . . 0.0 110.639 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -139.35 143.58 37.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.79 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 24.4 m -133.34 119.74 20.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.508 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t 50.67 -163.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.532 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.593 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -110.36 112.05 23.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.5 t -148.15 101.02 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.745 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.34 -172.25 45.22 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.2 t80 63.46 146.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.647 0.26 . . . . 0.0 110.724 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.6 t 176.2 94.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.956 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.85 155.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.638 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.6 t -67.19 137.67 56.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.409 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.2 m -120.39 130.54 54.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.969 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -146.38 124.08 11.86 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.801 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.76 -52.01 16.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 111.439 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -132.47 -179.49 5.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.693 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.03 69.2 1.42 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 31.81 71.03 0.09 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.104 0.532 . . . . 0.0 112.199 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.33 95.16 0.35 Allowed Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.76 88.82 0.11 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.57 149.31 25.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.46 137.47 42.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.19 105.21 14.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.442 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 67.4 m -119.85 23.43 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.27 151.63 45.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.68 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -111.2 133.61 53.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.569 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.37 93.48 0.17 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -138.87 146.4 41.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.469 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.3 144.75 46.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.11 58.53 5.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.835 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.41 132.46 39.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.448 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.5 m -133.75 134.87 43.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.014 0.435 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.68 -160.56 0.71 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.36 -62.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.4 . . . . 0.0 111.178 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.64 -94.53 0.9 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 96' ' ' SER . 20.6 p -116.33 112.09 21.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.168 0.508 . . . . 0.0 110.552 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.472 HE22 HG23 ' A' ' 71' ' ' THR . 7.1 tm0? -161.6 133.26 5.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.547 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.2 m -106.88 125.01 50.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.745 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -82.94 173.49 7.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.94 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' A' ' 71' ' ' THR . 61.7 Cg_exo -49.7 -179.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.744 2.296 . . . . 0.0 113.485 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.454 ' H ' ' H ' ' B' ' 74' ' ' GLY . 1.3 tp60 -144.64 111.61 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.207 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.66 -83.5 0.33 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -103.3 -53.24 2.85 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.599 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.84 120.08 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.63 89.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.746 0.308 . . . . 0.0 110.22 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.488 HG21 ' CE2' ' B' ' 75' ' ' TYR . 0.2 OUTLIER -75.69 101.57 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.138 0.494 . . . . 0.0 110.841 -179.613 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.53 -149.55 12.13 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.026 -1.23 . . . . 0.0 110.026 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.03 72.88 0.4 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.54 141.44 25.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.15 -47.83 0.7 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.11 133.18 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.793 0.33 . . . . 0.0 110.595 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.6 t -136.19 96.88 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.213 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.96 98.66 6.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.333 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.9 t -144.5 165.1 28.93 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.475 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.2 m -142.34 116.67 9.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.362 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.58 -177.35 4.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 111.176 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.45 174.95 5.7 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.576 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -147.07 147.31 30.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.158 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -107.38 -76.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.131 0.491 . . . . 0.0 111.213 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.52 67.52 0.96 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.47 116.56 29.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.539 0.209 . . . . 0.0 110.546 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.08 157.27 7.71 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.445 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.3 m -114.51 135.01 54.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.348 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.452 ' HB2' HG22 ' A' ' 68' ' ' THR . 7.9 t 59.96 -164.58 0.22 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.53 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.522 -179.926 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -110.37 112.18 23.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.538 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -148.19 100.86 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.723 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.49 -172.28 45.26 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 21.1 t80 63.4 146.66 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.652 0.263 . . . . 0.0 110.703 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t 175.95 94.21 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.91 155.6 0.62 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.611 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 26.1 t -67.06 137.68 56.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.512 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.3 m -120.29 130.66 54.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.062 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.44 124.07 11.81 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.157 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.89 -52.43 14.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.882 0.373 . . . . 0.0 111.425 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -132.1 -178.94 5.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.879 0.371 . . . . 0.0 110.793 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.39 70.48 1.24 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.34 71.63 0.07 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.85 95.22 0.39 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.8 88.53 0.11 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.931 0.396 . . . . 0.0 110.118 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.49 149.2 25.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.631 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.44 137.42 42.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -110.15 105.22 14.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.467 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 67.5 m -119.92 23.48 11.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.2 m -70.25 151.72 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.721 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -111.3 133.74 53.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.512 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.17 93.71 0.16 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.05 146.42 40.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.73 0.3 . . . . 0.0 110.407 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -135.3 144.73 46.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.05 58.58 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.39 132.4 39.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.487 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 52.7 m -133.52 134.93 44.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.82 -160.48 0.73 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.57 -62.47 1.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 111.028 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.66 -94.52 0.9 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.452 HG22 ' HB2' ' B' ' 96' ' ' SER . 21.2 p -116.16 112.15 21.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.888 0.375 . . . . 0.0 110.521 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.47 HE22 HG23 ' B' ' 71' ' ' THR . 6.9 tm0? -161.59 133.12 5.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.541 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -106.52 124.91 50.32 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -82.48 173.83 6.99 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.819 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' B' ' 71' ' ' THR . 70.0 Cg_exo -49.39 -177.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.782 2.321 . . . . 0.0 113.452 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.463 ' H ' ' H ' ' C' ' 74' ' ' GLY . 1.4 tp60 -147.07 110.6 4.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.118 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . 0.454 ' H ' ' H ' ' A' ' 73' ' ' GLN . . . 129.65 -83.52 0.32 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.488 ' CE2' HG21 ' A' ' 78' ' ' THR . 1.9 m-85 -102.7 -53.35 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.698 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.98 120.58 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.25 89.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.733 0.301 . . . . 0.0 110.226 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.487 HG21 ' CE2' ' C' ' 75' ' ' TYR . 0.2 OUTLIER -75.36 101.5 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.857 -179.607 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.67 -149.03 11.83 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.97 72.95 0.39 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.57 141.6 25.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.102 0.477 . . . . 0.0 111.343 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.13 -47.64 0.71 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.14 133.27 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.738 0.304 . . . . 0.0 110.501 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -136.3 96.91 3.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.163 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.95 98.38 6.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.366 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.05 165.14 28.61 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.506 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 64.7 m -142.39 116.61 9.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.403 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.63 -177.42 4.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.005 0.431 . . . . 0.0 111.239 -178.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 79.2 p -169.41 174.98 5.71 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.694 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.98 147.21 30.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.31 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -107.76 -76.81 0.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.075 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.4 67.94 0.96 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.36 116.34 29.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.547 0.213 . . . . 0.0 110.639 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.13 157.0 7.47 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.523 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 68.9 m -114.19 135.17 54.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.42 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . 0.452 ' HB2' HG22 ' B' ' 68' ' ' THR . 7.9 t 59.98 -164.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.611 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -110.33 112.17 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -148.18 100.92 3.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.727 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.46 -172.27 45.25 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 t80 63.35 146.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.764 0.316 . . . . 0.0 110.714 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t 175.98 94.15 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.96 155.52 0.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.669 179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -66.96 137.73 56.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.522 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -120.33 130.55 54.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.025 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -146.37 124.06 11.86 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.233 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.98 -52.41 14.59 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.404 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.06 -178.72 5.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.872 0.367 . . . . 0.0 110.744 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.23 70.58 1.23 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 30.27 71.72 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.92 95.18 0.39 Allowed Glycine 0 CA--C 1.522 0.489 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.96 88.53 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.013 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -155.56 149.17 25.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 42.3 t -135.34 137.46 42.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.615 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -110.18 105.22 14.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 67.6 m -119.9 23.52 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.796 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.2 151.63 45.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.723 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -111.22 133.74 53.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.544 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.25 93.72 0.16 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.14 146.32 40.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 110.395 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -135.26 144.77 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.12 58.5 5.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.4 132.45 39.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.479 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 52.8 m -133.61 134.97 43.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -160.42 0.75 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -62.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.646 0.26 . . . . 0.0 110.995 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.75 -94.64 0.9 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.452 HG22 ' HB2' ' C' ' 96' ' ' SER . 21.1 p -116.15 112.22 21.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.866 0.365 . . . . 0.0 110.496 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . 0.472 HE22 HG23 ' C' ' 71' ' ' THR . 6.9 tm0? -161.61 133.2 5.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.494 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -106.53 124.92 50.33 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.492 HG22 ' CD ' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -82.53 173.98 6.76 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.829 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . 0.492 ' CD ' HG22 ' C' ' 71' ' ' THR . 72.9 Cg_exo -49.46 -177.33 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.843 2.362 . . . . 0.0 113.378 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . 0.461 ' H ' ' H ' ' D' ' 74' ' ' GLY . 1.4 tp60 -147.18 110.62 4.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.074 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . 0.463 ' H ' ' H ' ' B' ' 73' ' ' GLN . . . 129.64 -83.54 0.32 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . 0.487 ' CE2' HG21 ' B' ' 78' ' ' THR . 1.9 m-85 -102.77 -53.26 2.89 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.675 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.98 120.52 0.01 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.38 89.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.483 HG21 ' CE2' ' D' ' 75' ' ' TYR . 0.2 OUTLIER -75.47 101.59 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.557 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.7 -149.06 11.83 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.01 72.92 0.4 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.51 141.65 24.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.121 0.486 . . . . 0.0 111.32 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.09 -47.62 0.71 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.09 133.21 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.746 0.307 . . . . 0.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 14.0 t -136.28 96.9 3.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.218 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.93 98.32 6.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.437 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.03 165.13 28.64 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.499 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 64.9 m -142.33 116.56 9.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.378 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.38 4.92 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.945 0.402 . . . . 0.0 111.275 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 79.3 p -169.42 174.96 5.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.642 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -146.96 147.21 30.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.265 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.79 -76.95 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.114 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.25 67.99 0.99 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.38 116.33 29.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.592 0.234 . . . . 0.0 110.636 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.07 156.98 7.52 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.533 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -114.2 135.04 54.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.523 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . 0.452 ' HB2' HG22 ' C' ' 68' ' ' THR . 7.9 t 60.11 -164.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.456 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.591 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.3 112.07 23.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.558 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 43.4 t -148.14 100.97 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.743 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.45 -172.37 45.33 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 21.1 t80 63.37 146.65 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.741 0.305 . . . . 0.0 110.78 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 6.8 t 175.99 94.16 0.01 OUTLIER 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.97 155.6 0.61 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.617 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 25.8 t -67.03 137.8 56.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.533 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -120.47 130.31 54.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.149 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.18 124.2 12.09 Favored 'General case' 0 C--O 1.223 -0.337 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.177 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.13 -52.3 14.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.878 0.37 . . . . 0.0 111.373 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.13 -178.83 5.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.915 0.388 . . . . 0.0 110.807 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.26 70.63 1.22 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.25 71.87 0.06 Allowed 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.96 95.24 0.4 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.86 88.6 0.11 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.07 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.63 149.2 25.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.4 137.43 42.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.587 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -110.16 105.15 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.509 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 68.1 m -119.82 23.52 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.759 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.24 151.67 45.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.727 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -111.19 133.77 53.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.17 93.77 0.16 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -139.16 146.29 40.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.673 0.273 . . . . 0.0 110.455 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 70.7 m -135.28 144.75 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.779 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.24 58.39 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.38 132.57 39.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.377 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 51.9 m -133.99 134.84 42.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.038 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.73 -160.4 0.7 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.75 -62.1 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.649 0.261 . . . . 0.0 111.024 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.36 -94.53 0.91 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . 0.45 HG22 ' HB2' ' D' ' 96' ' ' SER . 21.1 p -116.11 112.25 21.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.348 . . . . 0.0 110.695 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . 0.47 HE22 HG23 ' D' ' 71' ' ' THR . 6.9 tm0? -161.76 133.08 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.509 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -106.56 124.84 50.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.801 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . 0.491 HG22 ' CD ' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -82.53 173.95 6.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.874 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . 0.491 ' CD ' HG22 ' D' ' 71' ' ' THR . 70.4 Cg_exo -49.45 -177.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.798 2.332 . . . . 0.0 113.451 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . 0.489 ' H ' ' H ' ' E' ' 74' ' ' GLY . 1.3 tp60 -147.13 110.56 4.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.125 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . 0.461 ' H ' ' H ' ' C' ' 73' ' ' GLN . . . 129.62 -83.49 0.32 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . 0.483 ' CE2' HG21 ' C' ' 78' ' ' THR . 1.9 m-85 -102.71 -53.42 2.87 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.672 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.15 120.64 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.35 89.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.326 . . . . 0.0 110.231 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . 0.486 HG21 ' CE2' ' E' ' 75' ' ' TYR . 0.2 OUTLIER -75.22 101.35 4.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.981 -179.477 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.67 -149.04 11.84 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.9 73.06 0.38 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.56 141.63 24.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.096 0.474 . . . . 0.0 111.307 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.08 -47.48 0.72 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.01 133.3 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 13.5 t -136.29 96.89 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.183 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.96 98.38 6.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.406 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.11 165.08 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.559 -0.457 . . . . 0.0 111.435 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 64.4 m -142.34 116.6 9.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.351 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.54 -177.16 4.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.903 0.382 . . . . 0.0 111.261 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 78.9 p -169.56 174.87 5.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.679 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -146.89 147.07 30.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.272 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.75 -76.63 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.25 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.51 68.07 0.94 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.37 116.2 29.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.533 0.206 . . . . 0.0 110.699 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.01 156.98 7.6 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.496 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.18 135.12 54.39 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.459 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . 0.45 ' HB2' HG22 ' D' ' 68' ' ' THR . 7.9 t 59.92 -164.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.467 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.615 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.28 111.76 23.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -147.82 100.54 3.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.55 -172.31 45.3 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 t80 63.46 146.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.726 0.298 . . . . 0.0 110.687 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 6.8 t 176.04 94.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.802 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.94 155.6 0.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.641 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 25.9 t -67.07 137.82 56.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.467 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -120.41 130.61 54.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.028 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -146.59 125.04 12.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 0.0 111.408 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -76.63 -49.18 16.85 Favored 'General case' 0 C--O 1.228 -0.056 0 C-N-CA 119.248 -0.981 . . . . 0.0 111.559 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 7.7 t -130.81 -179.04 5.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.849 0.356 . . . . 0.0 111.284 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 75.0 70.88 1.2 Allowed Glycine 0 C--O 1.222 -0.625 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' E' ' 49' ' ' GLY . 12.1 m-85 26.87 76.44 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.281 0.632 . . . . 0.0 111.151 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.5 92.87 0.44 Allowed Glycine 0 CA--C 1.518 0.25 0 N-CA-C 110.576 -1.01 . . . . 0.0 110.576 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 68.78 88.77 0.11 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.95 0.405 . . . . 0.0 109.991 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.56 149.27 25.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.561 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.36 137.55 42.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.548 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -110.25 105.23 14.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.504 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 67.8 m -119.89 23.56 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -70.28 151.67 45.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.674 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.19 133.77 53.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.534 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.22 93.63 0.16 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -138.98 146.36 40.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.7 0.286 . . . . 0.0 110.453 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -135.35 144.77 46.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.742 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 48.83 59.1 4.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.72 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.88 132.63 39.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.306 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 52.4 m -133.73 134.92 43.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.18 -161.91 0.72 Allowed Glycine 0 CA--C 1.524 0.609 0 O-C-N 124.389 1.056 . . . . 0.0 110.641 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -45.79 -62.83 1.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.686 0.279 . . . . 0.0 111.104 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.94 -94.73 0.9 Allowed Glycine 0 N--CA 1.462 0.409 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . 0.448 HG22 ' HB2' ' E' ' 96' ' ' SER . 21.2 p -116.21 111.94 20.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.675 0.867 . . . . 0.0 110.337 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . 0.472 HE22 HG23 ' E' ' 71' ' ' THR . 6.7 tm0? -161.36 134.24 6.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.272 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 70.7 m -107.55 126.66 52.81 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.41 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . 0.489 HG22 ' CD ' ' E' ' 72' ' ' PRO . 0.0 OUTLIER -83.7 173.9 6.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 O-C-N 124.202 0.939 . . . . 0.0 109.511 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . 0.489 ' CD ' HG22 ' E' ' 71' ' ' THR . 66.3 Cg_exo -49.17 -178.86 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 123.133 2.555 . . . . 0.0 113.353 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . 0.469 ' H ' ' H ' ' F' ' 74' ' ' GLY . 1.5 tp60 -145.9 114.1 6.62 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.857 -1.065 . . . . 0.0 108.494 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . 0.489 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 127.3 -84.8 0.33 Allowed Glycine 0 CA--C 1.535 1.286 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . 0.486 ' CE2' HG21 ' D' ' 78' ' ' THR . 1.9 m-85 -102.23 -52.39 3.15 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.812 0.306 . . . . 0.0 110.904 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.52 120.99 0.01 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 2.5 t 48.17 91.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . 0.482 HG21 ' CE2' ' F' ' 75' ' ' TYR . 0.2 OUTLIER -76.45 102.51 6.03 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.611 -179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -111.2 -148.78 11.37 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.85 72.82 0.41 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.82 140.86 28.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.256 0.551 . . . . 0.0 111.186 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.56 -44.61 0.82 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 168.8 133.45 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.851 0.358 . . . . 0.0 110.398 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 14.0 t -136.4 96.35 3.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.368 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.43 97.2 6.03 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.609 0.568 . . . . 0.0 110.286 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -143.45 164.95 28.88 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.441 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 64.8 m -142.32 116.69 9.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.437 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.95 -177.58 5.05 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.131 -178.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 79.6 p -169.16 175.46 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.603 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 5.1 p -147.15 147.15 30.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.326 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -107.53 -76.59 0.61 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.376 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.37 67.45 0.99 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -96.21 115.8 28.0 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.0 -0.118 . . . . 0.0 110.936 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -168.56 157.2 8.55 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.56 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -114.16 134.88 54.6 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.146 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . 0.448 ' HB2' HG22 ' E' ' 68' ' ' THR . 7.9 t 60.34 -164.54 0.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.621 1.201 . . . . 0.0 110.416 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.55 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.32 112.12 23.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.603 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 43.5 t -148.15 100.98 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.728 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.4 -172.3 45.26 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 21.2 t80 63.41 146.65 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.69 0.281 . . . . 0.0 110.723 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t 175.98 94.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.92 155.46 0.61 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.962 0.411 . . . . 0.0 110.668 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 26.2 t -66.98 137.73 56.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.553 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -120.31 130.7 54.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.04 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -146.56 124.19 11.81 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.25 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -72.89 -52.59 14.11 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.691 -0.404 . . . . 0.0 111.396 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.01 -178.97 5.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.936 0.398 . . . . 0.0 110.787 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.36 70.79 1.2 Allowed Glycine 0 C--O 1.224 -0.52 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 29.97 71.81 0.06 Allowed 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.98 95.07 0.39 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.326 -1.109 . . . . 0.0 110.326 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.98 88.53 0.11 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.885 0.374 . . . . 0.0 110.057 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.52 149.23 25.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.577 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 42.3 t -135.47 137.42 42.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.568 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -110.14 105.13 14.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.49 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -119.8 23.48 11.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 75.5 m -70.32 151.71 44.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.65 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -111.29 133.72 53.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.474 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.29 93.62 0.16 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.07 146.41 40.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 110.377 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.34 144.73 46.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.758 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.17 58.54 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.54 132.41 39.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.42 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 53.6 m -133.44 135.23 44.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.99 -160.38 0.77 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.62 -62.7 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.663 0.268 . . . . 0.0 110.886 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.85 -94.74 0.91 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . 0.447 HG22 ' HB2' ' F' ' 96' ' ' SER . 21.2 p -115.92 112.35 21.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 110.453 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . 0.471 HE22 HG23 ' F' ' 71' ' ' THR . 6.9 tm0? -161.71 133.18 5.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.466 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -106.55 124.79 50.14 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.813 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -82.45 173.88 6.91 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.855 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' F' ' 71' ' ' THR . 70.8 Cg_exo -49.4 -177.39 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.798 2.332 . . . . 0.0 113.465 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . 0.468 ' H ' ' H ' ' G' ' 74' ' ' GLY . 1.3 tp60 -147.16 110.46 4.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.139 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . 0.469 ' H ' ' H ' ' E' ' 73' ' ' GLN . . . 129.68 -83.53 0.32 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -179.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . 0.482 ' CE2' HG21 ' E' ' 78' ' ' THR . 1.9 m-85 -102.53 -53.41 2.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.697 0.284 . . . . 0.0 110.667 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.1 120.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.11 89.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.803 0.335 . . . . 0.0 110.339 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . 0.482 HG21 ' CE2' ' G' ' 75' ' ' TYR . 0.2 OUTLIER -75.35 101.62 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.814 -179.472 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.62 -149.01 11.87 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.9 73.02 0.38 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.59 141.6 25.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.176 0.512 . . . . 0.0 111.237 -179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.1 -47.67 0.71 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.16 133.27 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.797 0.332 . . . . 0.0 110.542 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 13.7 t -136.24 96.96 3.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.137 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.99 98.31 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.405 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -144.06 165.2 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.511 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 65.0 m -142.39 116.55 9.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.377 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.51 -177.31 4.88 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.934 0.397 . . . . 0.0 111.334 -178.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.51 174.96 5.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.653 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.96 147.15 30.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.348 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -107.72 -77.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.054 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.18 67.96 1.0 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.27 116.35 29.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.481 0.181 . . . . 0.0 110.62 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -169.12 157.05 7.51 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.582 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.29 135.21 54.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.464 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . 0.447 ' HB2' HG22 ' F' ' 68' ' ' THR . 7.9 t 59.89 -164.52 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.493 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.565 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.35 112.09 23.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -148.11 100.97 3.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.754 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.48 -172.28 45.26 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 21.2 t80 63.37 146.66 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.742 0.306 . . . . 0.0 110.679 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t 176.01 94.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 180.0 155.46 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.655 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 25.9 t -66.92 137.68 56.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.474 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 95.0 m -120.3 130.53 54.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.028 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.39 124.1 11.87 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.185 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.01 -52.39 14.61 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.441 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.08 -178.74 5.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.811 0.339 . . . . 0.0 110.789 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.21 70.56 1.23 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 30.34 71.68 0.07 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.89 95.13 0.39 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.87 88.62 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.885 0.374 . . . . 0.0 110.023 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.56 149.17 25.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.62 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -135.49 137.45 42.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.576 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -110.2 105.15 14.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 67.1 m -119.8 23.51 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -70.33 151.71 44.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.664 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -111.28 133.7 53.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.533 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.26 93.65 0.16 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -139.01 146.41 40.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.741 0.305 . . . . 0.0 110.422 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 70.5 m -135.3 144.79 46.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.941 0.401 . . . . 0.0 110.694 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.12 58.55 5.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.835 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.48 132.44 39.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.411 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 53.7 m -133.54 134.99 44.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.82 -160.38 0.72 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.58 -62.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 111.025 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.72 -94.63 0.9 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.076 -0.809 . . . . 0.0 111.076 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . 0.445 HG22 ' HB2' ' G' ' 96' ' ' SER . 21.0 p -116.11 112.18 21.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.82 0.343 . . . . 0.0 110.506 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . 0.47 HE22 HG23 ' G' ' 71' ' ' THR . 6.9 tm0? -161.64 133.09 5.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.558 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -106.44 124.9 50.3 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.769 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -82.57 174.03 6.68 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.809 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' G' ' 71' ' ' THR . 71.7 Cg_exo -49.48 -177.36 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.777 2.318 . . . . 0.0 113.429 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . 0.465 ' H ' ' H ' ' H' ' 74' ' ' GLY . 1.3 tp60 -147.15 110.47 4.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.168 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . 0.468 ' H ' ' H ' ' F' ' 73' ' ' GLN . . . 129.66 -83.43 0.32 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . 0.482 ' CE2' HG21 ' F' ' 78' ' ' THR . 1.9 m-85 -102.7 -53.46 2.86 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 122.778 -0.248 . . . . 0.0 110.728 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.18 120.61 0.01 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 2.3 t 49.32 89.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . 0.483 HG21 ' CE2' ' H' ' 75' ' ' TYR . 0.2 OUTLIER -75.36 101.49 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.831 -179.582 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.64 -149.02 11.86 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.95 72.99 0.39 Allowed Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.63 141.68 25.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.138 0.494 . . . . 0.0 111.259 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.06 -47.57 0.71 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.04 133.33 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.844 0.355 . . . . 0.0 110.446 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 13.6 t -136.29 96.94 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.205 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -116.01 98.36 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.393 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 11.3 t -144.03 165.19 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.399 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 64.1 m -142.38 116.6 9.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.391 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.33 4.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.946 0.403 . . . . 0.0 111.325 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 79.0 p -169.46 174.94 5.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.607 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.93 147.14 30.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.342 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -107.76 -76.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.099 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.25 68.07 0.98 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.4 116.26 29.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.572 0.225 . . . . 0.0 110.614 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -169.06 157.02 7.56 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.558 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -114.16 135.14 54.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.427 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . 0.445 ' HB2' HG22 ' G' ' 68' ' ' THR . 7.9 t 59.83 -164.45 0.22 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.537 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.609 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.36 112.14 23.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 43.5 t -148.2 101.01 3.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.74 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.44 -172.32 45.29 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 20.9 t80 63.38 146.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.725 0.297 . . . . 0.0 110.725 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 6.8 t 176.05 94.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.89 155.48 0.62 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.969 0.414 . . . . 0.0 110.587 179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -67.01 137.77 56.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.501 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.8 m -120.36 130.52 54.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.065 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -146.36 124.17 11.94 Favored 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.209 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -73.11 -52.44 14.25 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.327 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -132.06 -178.85 5.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.89 0.376 . . . . 0.0 110.729 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.31 70.55 1.23 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.24 71.76 0.07 Allowed 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.92 95.13 0.39 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.87 88.61 0.11 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 48.2 t -155.59 149.22 25.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.57 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 42.2 t -135.43 137.46 42.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -110.22 105.26 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.444 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 67.4 m -119.91 23.43 11.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.799 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 75.3 m -70.21 151.63 45.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.701 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.28 133.66 53.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.509 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.31 93.57 0.16 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -138.94 146.38 40.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.681 0.277 . . . . 0.0 110.5 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -135.35 144.72 46.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.777 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.15 58.51 5.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.922 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -76.5 132.51 39.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.367 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 52.0 m -133.62 134.97 43.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.84 -160.29 0.72 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.7 -62.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.638 0.256 . . . . 0.0 111.012 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.69 -94.63 0.91 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . 0.443 HG22 ' HB2' ' H' ' 96' ' ' SER . 21.2 p -116.18 112.26 21.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.476 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . 0.47 HE22 HG23 ' H' ' 71' ' ' THR . 6.9 tm0? -161.6 133.16 5.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.465 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -106.6 124.89 50.28 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.709 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . 0.49 HG22 ' CD ' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -82.49 173.92 6.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.858 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . 0.49 ' CD ' HG22 ' H' ' 71' ' ' THR . 70.0 Cg_exo -49.41 -177.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.861 2.374 . . . . 0.0 113.414 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . 0.461 ' H ' ' H ' ' I' ' 74' ' ' GLY . 1.3 tp60 -147.23 110.49 4.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.141 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . 0.465 ' H ' ' H ' ' G' ' 73' ' ' GLN . . . 129.75 -83.52 0.32 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . 0.483 ' CE2' HG21 ' G' ' 78' ' ' THR . 1.9 m-85 -102.62 -53.4 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.678 0.275 . . . . 0.0 110.727 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.1 120.66 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.547 -1.021 . . . . 0.0 110.547 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 2.3 t 49.26 89.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.718 0.294 . . . . 0.0 110.302 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . 0.48 HG21 ' CE2' ' I' ' 75' ' ' TYR . 0.2 OUTLIER -75.32 101.61 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.8 -179.439 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.66 -149.01 11.84 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.98 72.97 0.39 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.61 141.59 25.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.106 0.479 . . . . 0.0 111.327 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.18 -47.64 0.71 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 171.07 133.35 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.808 0.337 . . . . 0.0 110.464 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 13.8 t -136.31 96.94 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.18 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -115.98 98.24 6.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.383 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 11.4 t -143.93 165.2 28.41 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.522 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 64.9 m -142.34 116.52 9.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.383 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -177.44 4.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.947 0.404 . . . . 0.0 111.257 -178.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -169.34 174.97 5.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.68 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 5.0 p -146.91 147.14 30.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.311 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -107.76 -76.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.26 68.06 0.98 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.31 116.14 28.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.538 0.209 . . . . 0.0 110.752 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -168.94 156.98 7.72 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.526 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -114.19 135.18 54.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.443 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . 0.443 ' HB2' HG22 ' H' ' 68' ' ' THR . 7.9 t 59.97 -164.53 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.544 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -110.35 112.06 23.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.521 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 43.8 t -148.08 101.06 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.773 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . 174.4 -172.4 45.34 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 21.2 t80 63.13 146.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 6.9 t 176.13 93.99 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.814 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -179.66 155.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.637 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 26.0 t -66.75 137.98 57.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.446 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -120.66 130.44 54.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.042 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -146.2 125.51 13.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -74.71 -52.65 11.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -131.9 -178.8 5.05 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.852 0.358 . . . . 0.0 110.802 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.35 70.6 1.23 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 30.12 72.94 0.05 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.034 0.49 . . . . 0.0 112.141 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.04 94.97 0.47 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 67.9 87.99 0.12 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.921 0.391 . . . . 0.0 110.127 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 48.1 t -155.02 149.29 26.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.668 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -135.47 137.52 42.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.483 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -110.22 105.25 14.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.455 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 67.8 m -119.94 23.45 11.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 75.1 m -70.18 151.62 45.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.659 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -111.21 133.65 53.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.33 93.47 0.16 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -138.85 146.5 41.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.466 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 70.5 m -135.36 144.77 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.941 0.401 . . . . 0.0 110.718 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 49.15 58.39 5.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.941 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -76.42 132.52 39.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.437 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 52.0 m -133.52 135.29 44.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.09 -160.18 0.77 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.95 -62.54 1.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.467 0.175 . . . . 0.0 110.912 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.88 -94.78 0.91 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . 0.444 HG22 ' HB2' ' I' ' 96' ' ' SER . 21.5 p -116.08 112.15 21.32 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.166 -0.213 . . . . 0.0 110.47 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . 0.473 HE22 HG23 ' I' ' 71' ' ' THR . 6.9 tm0? -161.65 133.13 5.42 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.279 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -106.25 125.44 51.0 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.75 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . 0.485 HG22 ' CD ' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -82.88 173.84 6.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.696 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . 0.485 ' CD ' HG22 ' I' ' 71' ' ' THR . 77.7 Cg_exo -49.65 -176.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.837 2.358 . . . . 0.0 113.234 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -147.43 111.04 4.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.111 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . 0.461 ' H ' ' H ' ' H' ' 73' ' ' GLN . . . 129.78 -83.39 0.32 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . 0.48 ' CE2' HG21 ' H' ' 78' ' ' THR . 1.9 m-85 -102.31 -53.57 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.728 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.4 120.86 0.01 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 2.4 t 49.16 89.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.731 0.3 . . . . 0.0 110.216 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.13 101.58 4.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.872 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.61 -148.86 11.82 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 109.822 -1.311 . . . . 0.0 109.822 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.97 73.18 0.37 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.88 142.2 25.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.393 0.615 . . . . 0.0 111.078 -179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 145.97 -47.34 0.73 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.3 p 170.95 133.38 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.716 0.293 . . . . 0.0 110.525 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 14.3 t -136.35 96.91 3.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.204 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -116.03 98.28 6.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.311 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 11.6 t -144.02 164.65 30.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.056 0.455 . . . . 0.0 111.512 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 63.0 m -141.82 116.67 9.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.481 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.6 -177.3 4.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.941 0.401 . . . . 0.0 111.309 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 79.2 p -169.5 174.98 5.64 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 5.2 p -146.86 147.09 30.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.403 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -108.21 -77.03 0.6 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.03 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.09 68.51 0.99 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -97.57 116.23 29.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.545 0.212 . . . . 0.0 110.677 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -169.09 156.99 7.51 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.485 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 69.3 m -114.38 135.04 54.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . 0.444 ' HB2' HG22 ' I' ' 68' ' ' THR . 7.9 t 60.08 -164.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.457 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.532 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.27 -176.4 4.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.605 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -55.65 96.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.632 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.9 135.68 9.02 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -158.82 131.6 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.73 0.3 . . . . 0.0 110.52 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 t -143.46 133.05 23.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.537 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.47 132.06 10.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.448 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -130.33 147.66 52.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.646 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.4 p -134.24 135.1 42.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.3 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -143.1 144.63 32.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.425 HG22 ' N ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -120.07 -53.32 2.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.285 0.565 . . . . 0.0 110.751 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.425 ' N ' HG22 ' A' ' 47' ' ' THR . 54.1 p -132.7 -166.49 1.76 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.458 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -39.44 3.11 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.445 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.49 -166.62 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.24 -47.38 30.01 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.71 -81.46 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.945 0.438 . . . . 0.0 110.004 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.5 m -101.67 127.35 48.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.273 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -126.0 131.69 52.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.618 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -92.82 -174.45 3.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.513 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 63.4 m -138.39 154.76 48.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.26 -163.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.811 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -123.77 24.39 8.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.605 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.0 135.67 2.38 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 53.28 40.86 31.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.685 0.279 . . . . 0.0 110.725 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.87 139.5 46.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.598 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.88 86.03 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.521 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.59 131.4 44.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.8 m -121.29 127.67 51.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.793 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.82 -162.08 0.29 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.29 -57.96 10.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.687 0.28 . . . . 0.0 111.306 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.55 -90.41 0.52 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.4 HG22 ' HB2' ' A' ' 96' ' ' SER . 19.4 p -116.31 110.97 19.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.25 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.89 160.65 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.484 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.2 m -118.36 122.45 42.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.348 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.42 173.29 6.97 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.101 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -43.72 167.16 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.702 2.268 . . . . 0.0 113.562 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.426 ' H ' ' H ' ' B' ' 74' ' ' GLY . 7.7 mp0 -143.26 111.44 6.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.148 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.72 -82.18 0.33 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.88 92.46 3.91 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.212 0.529 . . . . 0.0 110.456 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.77 -91.14 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.46 140.34 27.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.991 0.424 . . . . 0.0 111.004 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.34 101.3 2.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.185 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.16 101.13 0.04 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.46 101.4 0.44 Allowed Glycine 0 CA--C 1.518 0.271 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -91.24 -70.61 0.68 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.058 0.456 . . . . 0.0 110.181 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.6 -59.2 1.22 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.46 136.12 16.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.787 0.327 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.36 101.5 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -131.92 126.81 35.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.779 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.4 p -149.31 175.73 11.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.053 0.454 . . . . 0.0 111.238 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t -147.41 125.44 12.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.06 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.92 175.51 13.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.941 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.3 p -170.98 177.55 3.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.807 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.0 p -162.38 165.59 26.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.264 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -81.09 -72.69 0.41 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.712 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.27 72.72 0.04 OUTLIER Glycine 0 CA--C 1.528 0.848 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.769 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.4 167.92 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.665 0.269 . . . . 0.0 110.538 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.53 145.31 51.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.22 125.19 46.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.319 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.4 ' HB2' HG22 ' A' ' 68' ' ' THR . 9.9 t 57.2 -163.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.546 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.578 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.28 -176.5 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 73.4 m -55.5 96.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.765 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.88 135.7 9.03 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -158.83 131.54 6.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.314 . . . . 0.0 110.539 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 46.7 t -143.34 133.1 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.532 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.48 132.1 10.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.478 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.21 147.59 51.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.739 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 81.6 p -134.29 134.69 42.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.364 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.61 144.29 32.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.749 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.422 HG22 ' N ' ' B' ' 48' ' ' SER . 1.0 OUTLIER -120.23 -53.11 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.066 0.46 . . . . 0.0 110.711 179.75 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.422 ' N ' HG22 ' B' ' 47' ' ' THR . 54.4 p -132.97 -166.44 1.76 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.401 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.65 -39.45 3.11 Favored Glycine 0 CA--C 1.526 0.732 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.493 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.3 -167.1 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.94 -47.38 32.07 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.68 -81.57 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.932 0.43 . . . . 0.0 109.949 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -101.56 127.36 48.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.319 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.91 131.67 52.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.662 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -92.77 -174.39 3.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.554 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 63.4 m -138.51 154.75 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.792 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.2 -162.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.865 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.21 24.35 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.527 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.06 135.63 2.37 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.29 40.78 31.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.736 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.78 139.58 47.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.92 86.07 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.461 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.69 131.46 44.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 82.0 m -121.04 127.79 52.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.99 -162.0 0.3 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.4 -57.94 10.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.447 0.165 . . . . 0.0 111.228 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.78 -90.96 0.54 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.402 HG22 ' HB2' ' B' ' 96' ' ' SER . 19.9 p -115.95 111.01 19.77 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.85 160.6 10.43 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.458 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 61.4 m -118.19 122.24 42.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.488 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.88 173.56 6.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.943 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' C' ' 72' ' ' PRO . 83.0 Cg_exo -43.68 168.59 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.726 2.284 . . . . 0.0 113.395 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.438 ' H ' ' H ' ' C' ' 74' ' ' GLY . 7.6 mp0 -144.79 110.47 5.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.193 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . 0.426 ' H ' ' H ' ' A' ' 73' ' ' GLN . . . 119.73 -81.95 0.34 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.73 92.48 3.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.819 0.342 . . . . 0.0 110.365 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.84 -90.85 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -145.36 140.32 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.22 100.89 2.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.263 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.96 101.26 0.04 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.43 101.27 0.43 Allowed Glycine 0 CA--C 1.519 0.288 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -91.52 -70.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.188 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.69 -58.98 1.22 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.53 136.27 16.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 110.746 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.45 101.57 2.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.316 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.16 125.79 32.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -148.18 176.04 10.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.057 0.456 . . . . 0.0 111.311 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 44.6 t -147.43 125.31 11.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.136 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.87 175.54 13.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.388 . . . . 0.0 110.907 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.09 177.47 3.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.757 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 95.2 p -162.2 165.44 26.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -81.16 -72.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.565 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.08 72.53 0.04 OUTLIER Glycine 0 CA--C 1.527 0.794 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.697 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.27 167.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.652 0.263 . . . . 0.0 110.522 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.5 145.29 51.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 69.0 m -121.23 125.3 46.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.256 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . 0.402 ' HB2' HG22 ' B' ' 68' ' ' THR . 9.9 t 57.18 -163.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.594 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.26 -176.45 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.597 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 73.6 m -55.73 96.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.676 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.95 135.64 9.01 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.866 -0.893 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -158.8 131.57 7.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.712 0.291 . . . . 0.0 110.552 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 46.3 t -143.4 133.1 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.573 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.47 132.04 10.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.476 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 57.9 m -130.2 147.54 51.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.723 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.3 134.75 42.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.302 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -142.67 144.31 32.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.719 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . 0.421 HG22 ' N ' ' C' ' 48' ' ' SER . 1.0 OUTLIER -120.16 -53.3 2.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.042 0.449 . . . . 0.0 110.85 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . 0.421 ' N ' HG22 ' C' ' 47' ' ' THR . 54.3 p -132.85 -166.43 1.75 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.437 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.66 -39.57 3.1 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.459 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.4 -167.09 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.97 -47.38 31.91 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.7 -81.66 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.973 0.455 . . . . 0.0 109.962 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 67.3 m -101.58 127.37 48.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.31 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.93 131.7 52.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.616 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -92.86 -174.36 3.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.46 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 62.4 m -138.58 154.72 48.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.821 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -162.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.941 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -124.3 24.38 8.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.05 135.69 2.38 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.33 40.72 31.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 0.0 110.719 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.81 139.56 47.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.85 86.11 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.522 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.69 131.47 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.617 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 80.4 m -121.08 127.88 52.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.744 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -161.99 0.32 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.36 -58.04 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.543 0.211 . . . . 0.0 111.199 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.82 -90.92 0.54 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.8 p -115.97 111.05 19.81 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.85 160.61 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.181 -0.607 . . . . 0.0 111.383 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 59.7 m -118.25 122.38 42.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.329 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.9 173.56 6.75 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . 0.401 ' O ' ' HA ' ' B' ' 72' ' ' PRO . 81.5 Cg_exo -43.62 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.662 2.241 . . . . 0.0 113.414 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . 0.437 ' H ' ' H ' ' D' ' 74' ' ' GLY . 7.5 mp0 -144.9 110.45 5.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.188 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . 0.438 ' H ' ' H ' ' B' ' 73' ' ' GLN . . . 119.88 -82.01 0.34 Allowed Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.78 92.56 3.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.935 0.398 . . . . 0.0 110.307 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.87 -90.73 0.01 OUTLIER Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 1.7 p -145.4 140.38 27.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.438 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.25 100.94 2.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.187 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.07 101.29 0.04 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.41 101.23 0.42 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -91.49 -70.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.373 . . . . 0.0 110.182 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.66 -59.05 1.22 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -152.5 136.28 16.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.771 0.32 . . . . 0.0 110.767 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.45 101.57 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.34 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -132.18 125.69 31.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.884 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 92.6 p -148.12 176.02 10.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.957 0.408 . . . . 0.0 111.262 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.4 125.35 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.107 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.92 175.45 13.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.922 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -170.99 177.45 3.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.756 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 96.2 p -162.22 165.49 26.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.45 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -81.14 -72.8 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.18 72.48 0.04 OUTLIER Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.622 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.25 167.79 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.73 0.3 . . . . 0.0 110.48 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.52 145.26 51.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -121.22 125.19 46.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.33 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 10.0 t 57.27 -163.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.479 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 66.9 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.535 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.32 -176.5 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -55.61 96.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.679 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.96 135.72 9.04 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -158.8 131.73 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.669 0.271 . . . . 0.0 110.626 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 46.6 t -143.51 133.15 23.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.598 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.48 132.02 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.459 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.21 147.61 51.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.742 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 81.5 p -134.22 134.78 42.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.456 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.63 144.21 32.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.647 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . 0.425 HG22 ' N ' ' D' ' 48' ' ' SER . 1.0 OUTLIER -120.25 -53.09 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.04 0.448 . . . . 0.0 110.537 179.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . 0.425 ' N ' HG22 ' D' ' 47' ' ' THR . 54.4 p -133.02 -166.35 1.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.488 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -39.48 3.11 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.406 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.55 -166.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.23 -47.35 30.21 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.78 -81.7 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 122.747 0.419 . . . . 0.0 110.012 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 67.9 m -101.5 127.37 48.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.303 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.84 131.73 52.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.671 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -92.84 -174.24 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.452 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.71 154.76 48.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -162.78 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.872 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.29 24.32 8.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.556 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.03 135.66 2.38 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 53.24 40.77 31.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.834 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 47.6 t -72.86 139.61 47.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.537 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.89 85.93 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.62 131.38 44.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 76.6 m -121.25 127.46 51.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.021 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.78 -161.91 0.27 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.51 -57.64 11.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.49 0.186 . . . . 0.0 111.197 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.42 -90.8 0.54 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . 0.4 HG22 ' HB2' ' D' ' 96' ' ' SER . 19.6 p -115.94 110.7 19.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.579 0.228 . . . . 0.0 110.574 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.7 160.74 10.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.449 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 60.4 m -118.29 122.41 42.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.378 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.92 173.61 6.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.95 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' E' ' 72' ' ' PRO . 83.7 Cg_exo -43.69 168.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.713 2.275 . . . . 0.0 113.406 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . 0.471 ' H ' ' H ' ' E' ' 74' ' ' GLY . 7.6 mp0 -144.89 110.4 5.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.242 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . 0.437 ' H ' ' H ' ' C' ' 73' ' ' GLN . . . 119.82 -81.89 0.34 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 92.55 3.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.851 0.358 . . . . 0.0 110.4 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.84 -90.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.4 140.54 27.71 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.38 100.96 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.563 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.91 101.08 0.04 OUTLIER Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.124 -1.191 . . . . 0.0 110.124 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.41 101.4 0.44 Allowed Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -91.51 -70.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.976 0.417 . . . . 0.0 110.216 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -59.04 1.22 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 47.2 t -152.5 136.31 16.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 110.789 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.48 101.52 2.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.361 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.12 125.76 32.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 93.0 p -148.18 176.08 10.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.049 0.452 . . . . 0.0 111.309 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 44.4 t -147.51 125.32 11.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.026 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.9 175.42 13.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.977 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -171.0 177.55 3.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.675 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 95.5 p -162.22 165.43 26.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.507 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -81.15 -72.77 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.584 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.12 72.5 0.04 OUTLIER Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.606 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.33 167.75 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.712 0.292 . . . . 0.0 110.508 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.48 145.28 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.902 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.17 125.17 46.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.32 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . 0.4 ' HB2' HG22 ' D' ' 68' ' ' THR . 10.0 t 57.25 -163.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.499 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 67.4 t80 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.618 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.18 -176.37 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 72.8 m -55.09 95.43 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.309 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.3 135.76 9.03 Favored Glycine 0 C--N 1.337 0.586 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -158.99 131.58 6.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.738 0.304 . . . . 0.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 46.5 t -143.41 133.06 23.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.595 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.42 132.05 10.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.543 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 59.0 m -130.25 147.57 51.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.739 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 82.2 p -134.35 134.89 42.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.241 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -142.05 144.53 33.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.784 0.678 . . . . 0.0 110.954 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . 0.457 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -121.25 -49.39 2.17 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 119.184 -1.006 . . . . 0.0 112.244 177.209 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . 0.457 ' N ' HG22 ' E' ' 47' ' ' THR . 53.3 p -131.08 -165.81 1.61 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.681 0.753 . . . . 0.0 110.76 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.05 -32.22 3.56 Favored Glycine 0 C--N 1.313 -0.739 0 CA-C-O 118.286 -1.285 . . . . 0.0 111.851 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 167.33 -166.58 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 118.902 1.351 . . . . 0.0 108.605 176.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.85 -44.06 25.99 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 119.42 -1.372 . . . . 0.0 111.109 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.25 -83.72 0.0 OUTLIER 'General case' 0 C--N 1.346 0.453 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 68.0 m -100.65 127.41 47.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.144 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -126.02 131.64 52.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.612 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -92.81 -174.36 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.461 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 63.3 m -138.55 154.7 48.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.761 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.14 -162.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.934 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -124.11 24.29 8.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.599 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.09 135.69 2.38 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.27 40.73 31.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 0.0 110.807 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 47.7 t -72.84 139.58 47.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.619 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.82 85.75 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.592 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.52 131.43 44.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.62 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 77.0 m -121.05 127.79 52.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.642 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.52 -162.34 0.28 Allowed Glycine 0 CA--C 1.524 0.638 0 O-C-N 124.002 0.814 . . . . 0.0 111.153 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.23 -58.43 8.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.5 0.19 . . . . 0.0 111.096 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.13 -91.3 0.54 Allowed Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . 0.401 HG22 ' HB2' ' E' ' 96' ' ' SER . 19.8 p -115.88 110.58 19.22 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.398 0.705 . . . . 0.0 110.192 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.31 161.02 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.19 -0.604 . . . . 0.0 111.417 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 58.9 m -118.73 123.38 44.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.212 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.86 173.43 6.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 O-C-N 124.75 1.281 . . . . 0.0 109.543 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' D' ' 72' ' ' PRO . 85.0 Cg_exo -43.74 168.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.667 2.245 . . . . 0.0 113.253 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . 0.441 ' H ' ' H ' ' F' ' 74' ' ' GLY . 7.2 mp0 -144.6 114.15 7.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.546 178.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . 0.471 ' H ' ' H ' ' D' ' 73' ' ' GLN . . . 117.42 -82.98 0.33 Allowed Glycine 0 CA--C 1.539 1.588 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -178.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.69 90.79 3.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 O-C-N 122.754 -0.262 . . . . 0.0 111.049 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -46.64 -90.86 0.01 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.57 140.19 27.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.024 0.44 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.46 101.02 3.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.45 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.64 103.06 0.07 OUTLIER Glycine 0 CA--C 1.526 0.78 0 N-CA-C 109.886 -1.286 . . . . 0.0 109.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.85 102.37 0.63 Allowed Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -90.11 -72.71 0.55 Allowed 'General case' 0 N--CA 1.441 -0.886 0 CA-C-O 121.59 0.709 . . . . 0.0 110.6 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.61 -59.27 1.28 Allowed Glycine 0 CA--C 1.527 0.828 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 47.4 t -152.38 136.2 16.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.706 0.289 . . . . 0.0 110.796 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -150.23 100.31 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -131.39 125.03 31.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 93.0 p -148.09 175.68 10.82 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.125 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.38 125.39 12.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.072 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.03 175.27 14.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.888 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 83.7 p -170.14 178.39 3.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 97.5 p -162.63 165.31 25.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.477 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -80.88 -72.43 0.42 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.967 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.83 70.3 0.04 OUTLIER Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.821 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.32 167.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.964 0.382 . . . . 0.0 110.59 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.51 145.3 51.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 68.4 m -121.14 125.17 46.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.138 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . 0.401 ' HB2' HG22 ' E' ' 68' ' ' THR . 10.1 t 57.3 -163.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.501 0.501 . . . . 0.0 110.494 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 67.1 t80 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.55 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.36 -176.54 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.491 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 73.4 m -55.56 96.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.697 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.89 135.56 8.98 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -158.82 131.33 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.683 0.278 . . . . 0.0 110.49 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 46.6 t -143.27 133.07 23.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.534 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.42 132.13 10.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.546 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -130.28 147.51 52.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.761 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.2 134.69 42.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.356 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -142.51 144.17 32.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.799 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . 0.428 HG22 ' N ' ' F' ' 48' ' ' SER . 1.0 OUTLIER -120.17 -53.3 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 0.0 110.694 179.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . 0.428 ' N ' HG22 ' F' ' 47' ' ' THR . 54.2 p -132.78 -166.41 1.75 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.448 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.59 -39.44 3.11 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.497 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.31 -167.2 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.93 -47.36 32.27 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.72 -81.54 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 O-C-N 124.015 0.479 . . . . 0.0 109.977 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 67.5 m -101.63 127.35 48.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.28 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.91 131.59 52.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.729 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.77 -174.44 3.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.47 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 63.3 m -138.55 154.73 48.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -162.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.899 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.2 24.27 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.98 135.68 2.38 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.33 40.73 31.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.338 . . . . 0.0 110.748 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.74 139.75 47.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.609 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.97 86.04 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.5 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.79 131.54 44.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 81.4 m -121.1 128.43 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.46 -161.83 0.37 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.35 -58.38 8.76 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.201 -0.199 . . . . 0.0 111.159 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.05 -91.08 0.54 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . 0.404 HG22 ' HB2' ' F' ' 96' ' ' SER . 19.7 p -115.68 111.23 20.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.98 160.75 10.27 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.378 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 59.5 m -118.36 122.36 42.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.277 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.92 173.64 6.64 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' G' ' 72' ' ' PRO . 82.9 Cg_exo -43.65 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.788 2.325 . . . . 0.0 113.325 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . 0.444 ' H ' ' H ' ' G' ' 74' ' ' GLY . 7.6 mp0 -144.91 110.37 5.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.195 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . 0.441 ' H ' ' H ' ' E' ' 73' ' ' GLN . . . 119.91 -81.99 0.34 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.63 92.46 3.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.341 . . . . 0.0 110.384 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.8 -90.87 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.47 140.45 27.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.055 0.455 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.35 100.81 2.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.212 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.86 101.33 0.04 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.36 101.07 0.41 Allowed Glycine 0 CA--C 1.518 0.243 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -91.35 -70.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.343 . . . . 0.0 110.145 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -59.03 1.22 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 47.3 t -152.44 136.2 16.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.38 101.46 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.391 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -132.07 125.73 32.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.9 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 93.2 p -148.09 176.1 10.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.011 0.434 . . . . 0.0 111.334 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.43 125.35 12.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.113 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.84 175.47 13.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.958 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.03 177.54 3.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.744 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 95.8 p -162.31 165.48 26.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.455 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -81.29 -72.86 0.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.514 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.29 72.48 0.04 OUTLIER Glycine 0 CA--C 1.525 0.673 0 C-N-CA 120.475 -0.869 . . . . 0.0 111.576 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.31 167.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.819 0.342 . . . . 0.0 110.435 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.54 145.3 51.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 68.8 m -121.23 125.29 46.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.325 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . 0.404 ' HB2' HG22 ' F' ' 68' ' ' THR . 10.0 t 57.18 -163.22 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.551 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.612 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.3 -176.46 4.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.547 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 73.4 m -55.61 96.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.668 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.9 135.59 8.99 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -158.68 131.55 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.692 0.282 . . . . 0.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 46.2 t -143.4 133.0 23.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.626 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.32 132.18 10.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -130.24 147.6 51.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.748 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -134.3 134.82 42.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.276 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.73 144.23 32.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.743 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . 0.428 HG22 ' N ' ' G' ' 48' ' ' SER . 1.0 OUTLIER -120.26 -53.04 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.037 0.446 . . . . 0.0 110.699 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . 0.428 ' N ' HG22 ' G' ' 47' ' ' THR . 54.3 p -133.0 -166.42 1.76 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.438 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.68 -39.56 3.1 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.467 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.37 -167.12 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.93 -47.42 31.98 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.75 -81.63 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 124.014 0.479 . . . . 0.0 109.903 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 67.0 m -101.56 127.43 48.27 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.316 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -125.96 131.66 52.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.608 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -92.74 -174.34 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.54 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.54 154.78 48.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.731 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -162.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.888 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -124.21 24.29 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.518 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.06 135.62 2.37 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.4 40.72 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.693 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.74 139.53 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.9 86.07 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.509 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.74 131.5 44.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 81.0 m -121.02 127.92 52.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.774 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.12 -161.8 0.31 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.62 -58.02 10.25 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.14 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.81 -90.92 0.54 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . 0.407 HG22 ' HB2' ' G' ' 96' ' ' SER . 19.8 p -115.91 111.04 19.84 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.82 160.69 10.56 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.24 -0.584 . . . . 0.0 111.53 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 60.8 m -118.29 122.36 42.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.384 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.95 173.59 6.71 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.926 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' F' ' 72' ' ' PRO . 83.0 Cg_exo -43.61 168.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.733 2.289 . . . . 0.0 113.389 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . 0.445 ' H ' ' H ' ' H' ' 74' ' ' GLY . 7.5 mp0 -144.99 110.49 5.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.049 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . 0.444 ' H ' ' H ' ' F' ' 73' ' ' GLN . . . 119.87 -81.91 0.34 Allowed Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.8 92.56 3.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.91 -90.76 0.01 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.44 140.37 27.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.963 0.411 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.23 100.8 2.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.299 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.93 101.35 0.04 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.4 101.22 0.42 Allowed Glycine 0 CA--C 1.519 0.315 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -91.49 -70.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.781 0.325 . . . . 0.0 110.154 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.59 -59.12 1.22 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -152.43 136.38 16.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.796 0.332 . . . . 0.0 110.751 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.56 101.55 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.311 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -132.08 125.58 31.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.995 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 93.1 p -147.99 176.07 10.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 111.348 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 44.5 t -147.48 125.33 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.046 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.85 175.46 13.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.992 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -171.04 177.53 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.793 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 95.7 p -162.23 165.5 26.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.498 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -81.22 -72.93 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.538 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.28 72.54 0.04 OUTLIER Glycine 0 CA--C 1.528 0.85 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.559 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.19 167.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.674 0.274 . . . . 0.0 110.539 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -129.53 145.28 51.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -121.16 125.22 46.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.282 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . 0.407 ' HB2' HG22 ' G' ' 68' ' ' THR . 10.0 t 57.1 -163.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.521 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 67.2 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.613 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.3 -176.53 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.58 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -55.62 96.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.706 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.82 135.65 9.01 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -158.82 131.57 7.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 0.0 110.497 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 46.7 t -143.45 133.04 23.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.529 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.36 132.1 10.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.487 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 58.8 m -130.25 147.51 51.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.724 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 81.7 p -134.2 134.73 42.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.338 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -142.65 144.12 32.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.732 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . 0.427 HG22 ' N ' ' H' ' 48' ' ' SER . 1.0 OUTLIER -120.1 -53.25 2.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.055 0.455 . . . . 0.0 110.691 179.763 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . 0.427 ' N ' HG22 ' H' ' 47' ' ' THR . 54.4 p -132.91 -166.38 1.75 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.429 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.61 -39.46 3.11 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.444 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 170.35 -167.17 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.86 -47.46 32.24 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.78 -81.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.964 0.45 . . . . 0.0 109.939 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 67.1 m -101.51 127.34 48.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.358 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.91 131.76 52.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.603 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.88 -174.48 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.433 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 62.8 m -138.44 154.82 48.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.754 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -162.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.84 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -124.2 24.25 8.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.555 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.04 135.65 2.37 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 53.32 40.72 31.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.786 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 47.7 t -72.81 139.65 47.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.526 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.93 85.98 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.485 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.7 131.52 44.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.556 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 79.9 m -121.07 127.94 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.748 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.16 -161.86 0.32 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.4 -58.12 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.518 0.199 . . . . 0.0 111.193 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.84 -90.91 0.54 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . 0.41 HG22 ' HB2' ' H' ' 96' ' ' SER . 19.8 p -115.89 111.08 19.92 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.83 160.75 10.57 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.446 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 61.0 m -118.33 122.31 42.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.376 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.87 173.58 6.73 Favored Pre-proline 0 CA--C 1.534 0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.945 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HA ' ' G' ' 72' ' ' PRO . 84.6 Cg_exo -43.72 168.76 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.719 2.279 . . . . 0.0 113.338 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . 0.441 ' H ' ' H ' ' I' ' 74' ' ' GLY . 7.6 mp0 -144.95 110.46 5.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.18 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . 0.445 ' H ' ' H ' ' G' ' 73' ' ' GLN . . . 119.89 -82.09 0.34 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.59 92.59 3.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.828 0.347 . . . . 0.0 110.346 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.77 -90.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.4 140.41 27.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.985 0.421 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.31 100.76 2.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.278 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.78 101.28 0.04 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.136 -1.185 . . . . 0.0 110.136 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.33 101.27 0.42 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -91.59 -70.45 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.65 -58.92 1.23 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 47.0 t -152.51 136.29 16.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.754 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -150.43 101.59 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.313 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -132.11 125.57 31.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.94 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 92.8 p -147.98 176.03 10.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.019 0.438 . . . . 0.0 111.353 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 44.3 t -147.37 125.43 12.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.043 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.88 175.51 13.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.954 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -171.11 177.52 3.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.765 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 96.1 p -162.27 165.42 26.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.495 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -81.09 -72.95 0.4 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.536 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 169.29 72.42 0.04 OUTLIER Glycine 0 CA--C 1.526 0.74 0 C-N-CA 120.45 -0.881 . . . . 0.0 111.579 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.17 167.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.721 0.296 . . . . 0.0 110.512 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.44 145.36 51.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 68.6 m -121.22 125.29 46.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.302 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . 0.41 ' HB2' HG22 ' H' ' 68' ' ' THR . 9.9 t 57.12 -163.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.555 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 67.0 t80 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.56 179.914 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.25 -176.51 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.558 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 73.4 m -55.59 96.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.757 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.97 135.64 9.01 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -158.83 131.56 6.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.533 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 46.3 t -143.46 132.99 23.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.582 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -155.36 132.1 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 57.5 m -130.23 147.35 51.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.815 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 81.3 p -134.15 134.58 42.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.385 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -142.84 142.89 31.91 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.894 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . 0.423 HG22 ' N ' ' I' ' 48' ' ' SER . 1.0 OUTLIER -119.12 -53.3 2.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.844 179.649 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . 0.423 ' N ' HG22 ' I' ' 47' ' ' THR . 54.4 p -132.7 -166.2 1.71 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.533 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.68 -39.43 3.11 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 169.97 -167.69 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.29 -47.61 35.4 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 166.92 -81.56 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.962 0.448 . . . . 0.0 109.947 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -101.68 127.47 48.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 110.189 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -126.04 131.66 52.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -92.9 -174.53 3.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.474 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 63.5 m -138.26 154.93 49.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.788 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.864 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -124.2 24.39 8.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.05 135.69 2.38 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 53.26 40.74 31.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.725 0.298 . . . . 0.0 110.783 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 47.9 t -72.75 139.62 47.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -131.92 86.07 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.526 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.79 131.55 44.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.484 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 77.9 m -120.96 128.09 52.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.719 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.34 -161.8 0.35 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.51 -58.08 10.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.254 -0.179 . . . . 0.0 111.067 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.81 -91.04 0.54 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . 0.413 HG22 ' HB2' ' I' ' 96' ' ' SER . 20.1 p -115.9 110.99 19.78 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -168.89 160.74 10.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.251 -0.58 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 60.5 m -117.97 122.94 44.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.319 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.13 173.29 7.05 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.807 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -43.95 169.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.7 2.267 . . . . 0.0 113.163 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -145.05 110.87 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.231 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . 0.441 ' H ' ' H ' ' H' ' 73' ' ' GLN . . . 120.01 -81.83 0.34 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.5 92.68 3.99 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.87 -90.51 0.01 OUTLIER Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -145.5 140.34 27.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.402 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.15 100.95 2.96 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.281 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.28 101.65 0.05 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.088 -1.205 . . . . 0.0 110.088 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.29 101.1 0.4 Allowed Glycine 0 CA--C 1.52 0.39 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -91.84 -70.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.221 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -93.69 -58.85 1.23 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -152.5 136.34 16.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.844 0.354 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 20.2 m -150.52 101.48 2.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.379 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -132.03 125.5 31.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.781 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 92.1 p -148.07 175.61 10.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.983 0.421 . . . . 0.0 111.251 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 44.7 t -147.02 125.39 12.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.092 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.01 174.91 14.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.966 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -170.46 177.55 4.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 96.1 p -162.21 165.2 27.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.577 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -81.11 -72.56 0.42 Allowed 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.521 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 168.68 72.17 0.03 OUTLIER Glycine 0 CA--C 1.524 0.636 0 C-N-CA 120.351 -0.928 . . . . 0.0 111.429 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.23 167.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.746 0.308 . . . . 0.0 110.522 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -129.41 145.31 51.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 68.8 m -121.3 125.23 46.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.209 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . 0.413 ' HB2' HG22 ' I' ' 68' ' ' THR . 10.0 t 57.15 -163.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 67.0 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.578 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -108.95 111.3 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.644 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.3 t -150.63 100.32 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.38 178.37 16.37 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -112.51 128.4 56.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.866 0.365 . . . . 0.0 110.505 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.08 -170.27 2.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.62 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.9 -163.08 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.732 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.1 p -71.19 160.92 31.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -141.08 153.88 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.667 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -150.59 163.34 38.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.315 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -123.17 -53.39 1.83 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.594 -179.666 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 47' ' ' THR . 68.6 m -133.8 135.38 43.79 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.003 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.51 76.02 1.03 Allowed Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.319 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 32.35 68.48 0.13 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.907 0.416 . . . . 0.0 112.084 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.76 94.95 0.31 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 66.77 96.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 0.0 110.12 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.88 147.82 15.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.337 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.81 135.19 55.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.787 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -128.79 131.27 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.444 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.96 -42.08 5.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.286 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.5 t -153.14 96.79 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.228 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -90.23 77.2 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.679 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.67 -165.28 50.43 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.29 -35.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.678 0.275 . . . . 0.0 110.614 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -132.09 148.44 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.538 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.75 56.32 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.407 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -101.36 129.01 47.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.8 m -132.51 136.78 46.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.05 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.1 -160.45 1.64 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.85 -55.77 7.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.36 . . . . 0.0 111.099 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.85 -92.06 0.97 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.1 p -115.69 130.42 56.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.121 0.486 . . . . 0.0 110.507 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -161.63 129.96 4.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.629 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' HG23 ' B' ' 71' ' ' THR . 23.1 p -109.93 141.59 42.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.672 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.43 ' C ' ' OG1' ' B' ' 71' ' ' THR . 61.7 p -92.59 161.92 30.86 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.56 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -88.54 108.16 0.52 Allowed 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.889 2.393 . . . . 0.0 113.428 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -58.81 159.02 7.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.635 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.41 -97.6 1.49 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.46 ' CE2' HG23 ' A' ' 78' ' ' THR . 0.1 OUTLIER -123.8 42.73 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.213 0.53 . . . . 0.0 110.606 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.17 136.1 51.27 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.81 89.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.842 0.353 . . . . 0.0 110.189 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.46 HG23 ' CE2' ' A' ' 75' ' ' TYR . 63.4 m -101.24 104.56 15.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.11 0.481 . . . . 0.0 110.493 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.42 -144.96 12.32 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.09 71.83 0.52 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -53.61 134.09 41.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.535 0.207 . . . . 0.0 110.953 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.89 -47.35 0.57 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 172.48 131.37 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.949 0.404 . . . . 0.0 110.809 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.3 m -134.75 91.83 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.61 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -54.54 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.591 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.7 p -163.74 -177.14 4.99 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.134 -0.626 . . . . 0.0 112.021 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -164.45 148.4 9.41 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.773 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.65 130.43 52.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.745 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.09 161.55 8.61 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.936 0.398 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.466 ' HG ' ' HD1' ' A' ' 91' ' ' TYR . 87.9 p -162.81 -174.44 3.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.466 ' HD1' ' HG ' ' A' ' 90' ' ' SER . 65.5 m-85 58.09 72.47 0.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.742 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.64 52.56 0.57 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.48 170.82 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 0.0 110.597 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.52 158.81 9.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.37 178.59 7.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.451 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.0 t -138.76 140.52 38.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.592 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.562 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -108.95 111.32 22.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.574 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.3 t -150.68 100.35 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.42 178.42 16.37 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -112.4 128.52 56.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.714 0.292 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.16 -170.29 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.559 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.89 -163.04 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.687 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 82.2 p -71.25 160.95 31.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.008 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.16 153.54 45.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.673 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.18 163.23 38.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.466 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.402 HG22 ' N ' ' B' ' 48' ' ' SER . 1.0 OUTLIER -123.41 -53.29 1.81 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.574 -179.719 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.402 ' N ' HG22 ' B' ' 47' ' ' THR . 70.8 m -133.59 135.72 44.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.959 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 104.88 78.4 1.22 Allowed Glycine 0 C--O 1.222 -0.616 0 C-N-CA 120.321 -0.942 . . . . 0.0 111.965 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' B' ' 49' ' ' GLY . 66.3 m-85 29.96 68.9 0.09 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 178.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.0 95.02 0.33 Allowed Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.91 96.37 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.884 0.374 . . . . 0.0 110.09 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.81 147.73 15.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.328 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -120.75 135.25 55.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.88 131.28 47.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.408 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.99 -42.07 5.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.94 0.4 . . . . 0.0 110.265 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.1 96.7 2.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.31 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -90.15 77.21 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.766 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.72 -165.13 50.72 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.42 -35.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 110.523 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 43.5 t -131.87 148.51 52.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.543 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.62 56.34 5.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.48 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.45 128.88 47.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.559 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 50.9 m -132.3 136.93 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.2 -160.31 1.66 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -55.73 7.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.697 0.284 . . . . 0.0 111.022 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.03 -92.41 0.99 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -115.43 130.87 57.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.37 . . . . 0.0 110.496 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.84 129.9 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.568 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . 0.446 ' O ' HG23 ' C' ' 71' ' ' THR . 23.7 p -109.89 141.54 42.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.534 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.446 ' C ' ' OG1' ' C' ' 71' ' ' THR . 53.1 p -93.0 162.81 27.59 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.467 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -89.01 106.75 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 123.22 2.613 . . . . 0.0 113.892 -176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.43 158.89 5.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.792 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.65 -97.55 1.47 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.464 ' CE2' HG23 ' B' ' 78' ' ' THR . 0.1 OUTLIER -123.21 41.35 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.943 0.401 . . . . 0.0 110.658 -179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.96 136.28 51.0 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.75 89.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 110.218 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.464 HG23 ' CE2' ' B' ' 75' ' ' TYR . 66.1 m -101.06 104.37 15.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.3 -144.03 11.81 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.8 71.85 0.51 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -53.66 134.36 41.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.813 0.339 . . . . 0.0 110.938 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.81 -47.18 0.58 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.47 131.38 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.837 0.351 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 73.0 m -134.73 91.84 2.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.632 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.41 -87.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 72.6 p -163.4 -176.12 4.58 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 119.976 -0.69 . . . . 0.0 111.885 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.46 148.22 7.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.577 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.49 130.55 52.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.795 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.21 161.59 8.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.873 0.368 . . . . 0.0 111.179 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.456 ' HG ' ' HD1' ' B' ' 91' ' ' TYR . 87.8 p -162.95 -174.64 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.736 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.456 ' HD1' ' HG ' ' B' ' 90' ' ' SER . 66.6 m-85 57.77 72.37 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.055 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.85 52.2 0.58 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.35 171.12 9.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.632 0.254 . . . . 0.0 110.503 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.76 158.74 9.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.46 178.46 7.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.488 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -138.55 140.58 39.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.507 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.585 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -108.99 111.31 22.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.536 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -150.66 100.4 2.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.617 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.45 178.36 16.37 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -112.4 128.52 56.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.311 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.05 -170.17 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.62 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -149.02 -163.03 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.74 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.17 160.89 32.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.991 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -141.08 153.59 45.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.658 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.13 163.13 39.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . 0.403 HG22 ' N ' ' C' ' 48' ' ' SER . 1.0 OUTLIER -123.36 -53.29 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.627 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . 0.403 ' N ' HG22 ' C' ' 47' ' ' THR . 71.7 m -133.69 135.76 44.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.935 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 104.84 78.51 1.23 Allowed Glycine 0 C--O 1.222 -0.644 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.922 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' C' ' 49' ' ' GLY . 66.1 m-85 29.79 69.06 0.09 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.01 94.98 0.33 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.84 96.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.921 0.391 . . . . 0.0 110.064 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -160.93 147.68 15.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.315 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -120.78 135.24 55.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.743 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -128.89 131.26 47.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.359 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -103.0 -42.04 5.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.887 0.375 . . . . 0.0 110.25 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -153.08 96.65 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.288 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.13 77.21 6.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.767 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.79 -165.02 50.97 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -142.52 -35.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.596 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -131.96 148.56 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.513 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 56.61 56.4 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.459 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -101.46 129.02 47.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.497 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 51.2 m -132.44 136.93 47.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.26 -160.37 1.7 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.99 -55.82 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.637 0.256 . . . . 0.0 110.935 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.01 -92.32 0.98 Allowed Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.45 130.93 57.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.888 0.375 . . . . 0.0 110.468 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.83 4.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.555 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . 0.446 ' O ' HG23 ' D' ' 71' ' ' THR . 23.9 p -109.88 141.62 42.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.577 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.447 ' C ' ' OG1' ' D' ' 71' ' ' THR . 50.2 p -93.16 163.05 26.59 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.376 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -89.14 106.62 0.42 Allowed 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 123.187 2.591 . . . . 0.0 114.003 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.27 158.97 4.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.76 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.63 -97.45 1.45 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . 0.469 ' CE2' HG23 ' C' ' 78' ' ' THR . 0.1 OUTLIER -123.32 41.12 3.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 110.626 -179.795 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.65 136.27 50.9 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.69 89.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.93 0.395 . . . . 0.0 110.191 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.469 HG23 ' CE2' ' C' ' 75' ' ' TYR . 66.9 m -101.23 104.58 15.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.44 -144.12 11.78 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.9 71.83 0.51 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -53.71 134.49 41.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.72 -47.14 0.58 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.49 131.44 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.894 0.378 . . . . 0.0 110.824 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -134.77 91.84 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.576 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -54.43 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.587 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 71.8 p -163.25 -175.9 4.52 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 120.087 -0.645 . . . . 0.0 111.97 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.63 148.27 7.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.588 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.57 130.51 52.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.787 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.17 161.58 8.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . 0.454 ' HG ' ' HD1' ' C' ' 91' ' ' TYR . 87.5 p -162.96 -174.7 4.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.654 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . 0.454 ' HD1' ' HG ' ' C' ' 90' ' ' SER . 67.3 m-85 57.8 72.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.185 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.81 52.21 0.58 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.31 171.22 9.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.662 0.268 . . . . 0.0 110.531 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.88 158.7 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.41 178.45 7.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.542 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 48.0 t -138.6 140.59 39.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.489 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.601 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -108.98 111.28 22.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.555 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 45.5 t -150.7 100.3 2.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.36 178.42 16.37 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -112.44 128.53 56.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.733 0.302 . . . . 0.0 110.506 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.14 -170.21 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.587 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.94 -163.07 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.642 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 82.5 p -71.23 160.97 31.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -141.15 153.56 45.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.701 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -150.14 163.19 38.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.52 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . 0.412 HG22 ' N ' ' D' ' 48' ' ' SER . 1.0 OUTLIER -123.41 -53.46 1.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.527 -179.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . 0.412 ' N ' HG22 ' D' ' 47' ' ' THR . 71.0 m -133.45 135.76 44.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.055 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 104.81 78.59 1.24 Allowed Glycine 0 C--O 1.221 -0.676 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.918 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' E' ' 49' ' ' GLY . 65.7 m-85 29.83 68.99 0.09 Allowed 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 178.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.16 95.08 0.34 Allowed Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 66.87 96.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.828 0.347 . . . . 0.0 110.101 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 33.4 t -160.88 147.69 15.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.303 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 39.7 t -120.72 135.27 55.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.778 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.87 131.24 47.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.374 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.99 -42.01 5.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.325 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.07 96.66 2.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.339 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.13 77.1 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.722 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.82 -164.95 51.1 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.53 -35.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.613 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 43.6 t -131.86 148.48 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.633 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.73 56.3 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.383 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.45 128.96 47.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.511 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 49.6 m -132.64 136.77 46.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.02 -160.37 1.58 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.08 -55.47 8.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.665 0.269 . . . . 0.0 110.981 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.73 -92.26 0.99 Allowed Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -115.43 130.7 56.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.771 0.32 . . . . 0.0 110.58 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.75 129.9 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . 0.445 ' O ' HG23 ' E' ' 71' ' ' THR . 24.0 p -109.95 141.64 42.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.517 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . 0.447 ' C ' ' OG1' ' E' ' 71' ' ' THR . 50.1 p -93.11 163.01 26.82 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . 0.4 ' HB3' ' C ' ' E' ' 72' ' ' PRO . 58.2 Cg_endo -89.1 106.68 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 123.211 2.607 . . . . 0.0 114.04 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.31 158.99 4.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.792 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.65 -97.47 1.45 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . 0.468 ' CE2' HG23 ' D' ' 78' ' ' THR . 0.1 OUTLIER -123.28 41.04 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.714 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.62 136.36 50.81 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.77 89.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.932 0.396 . . . . 0.0 110.109 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . 0.468 HG23 ' CE2' ' D' ' 75' ' ' TYR . 63.9 m -100.9 104.41 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.43 -144.34 11.93 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.98 71.89 0.51 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -53.78 134.52 42.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.67 -47.07 0.58 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.45 131.44 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 72.8 m -134.75 91.88 2.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.623 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -54.51 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.603 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 69.6 p -163.21 -176.06 4.62 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 120.058 -0.657 . . . . 0.0 111.992 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.59 148.17 7.65 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.608 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.52 130.5 52.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.772 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.18 161.55 8.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.04 0.447 . . . . 0.0 111.078 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . 0.452 ' HG ' ' HD1' ' D' ' 91' ' ' TYR . 88.0 p -162.94 -174.5 3.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.655 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . 0.452 ' HD1' ' HG ' ' D' ' 90' ' ' SER . 67.0 m-85 57.47 72.75 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.16 52.31 0.57 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.42 171.2 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.502 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.79 158.76 9.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.84 0.353 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.4 178.43 7.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.5 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.54 140.57 39.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.629 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -108.98 111.06 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.505 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 45.8 t -150.46 99.93 2.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.18 178.48 16.36 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -112.53 128.56 56.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.472 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.16 -170.29 2.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.87 -163.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.715 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 82.3 p -71.24 160.61 32.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 14.0 t -141.03 153.66 45.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.634 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -149.94 163.09 39.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.625 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . 0.444 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -124.2 -50.55 1.79 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 119.311 -0.956 . . . . 0.0 112.643 178.032 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . 0.444 ' N ' HG22 ' E' ' 47' ' ' THR . 66.8 m -131.06 134.05 46.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 119.257 -0.401 . . . . 0.0 112.025 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 107.93 72.14 0.76 Allowed Glycine 0 C--O 1.216 -1.019 0 C-N-CA 117.921 -2.085 . . . . 0.0 113.209 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' E' ' 49' ' ' GLY . 70.5 m-85 29.0 74.77 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.406 0.622 . . . . 0.0 110.64 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.35 92.79 0.42 Allowed Glycine 0 C--N 1.323 -0.145 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 67.88 96.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.04 -179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 33.4 t -160.83 147.81 15.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.326 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.66 135.47 55.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.606 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -128.92 131.41 47.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.531 179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 3.2 m -103.0 -42.08 5.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.392 . . . . 0.0 110.223 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 46.5 t -153.14 96.74 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.255 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -90.22 77.11 6.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.762 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.79 -165.1 50.89 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.061 -0.815 . . . . 0.0 111.061 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.39 -35.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.598 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 43.3 t -131.9 148.55 52.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.31 56.88 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.426 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -101.81 129.2 47.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.54 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 49.9 m -132.58 136.77 46.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.43 -161.97 1.64 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -56.36 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.62 0.247 . . . . 0.0 110.967 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.35 -92.25 0.96 Allowed Glycine 0 N--CA 1.464 0.565 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 30.4 p -115.48 130.63 56.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.786 0.327 . . . . 0.0 110.476 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.64 130.44 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.439 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . 0.419 ' O ' HG23 ' F' ' 71' ' ' THR . 22.2 p -110.27 141.85 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.034 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . 0.447 ' OG1' ' C ' ' D' ' 71' ' ' THR . 56.2 p -92.54 163.14 27.49 Favored Pre-proline 0 C--N 1.328 -0.358 0 O-C-N 125.529 1.768 . . . . 0.0 110.874 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . 0.4 ' C ' ' HB3' ' D' ' 72' ' ' PRO . 62.4 Cg_endo -89.73 108.53 0.41 Allowed 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.516 2.144 . . . . 0.0 113.669 -176.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -58.17 158.8 6.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.712 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.23 -96.02 1.3 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . 0.474 ' CE2' HG23 ' E' ' 78' ' ' THR . 0.1 OUTLIER -123.77 41.31 3.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.909 0.385 . . . . 0.0 110.807 179.62 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.86 136.41 50.85 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.39 90.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.948 0.404 . . . . 0.0 110.267 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . 0.474 HG23 ' CE2' ' E' ' 75' ' ' TYR . 70.1 m -101.7 104.75 15.58 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.425 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.53 -144.23 11.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.36 72.82 0.37 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -54.56 134.42 46.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.966 0.412 . . . . 0.0 110.779 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.75 -44.54 0.65 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 169.76 131.63 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.077 0.465 . . . . 0.0 110.643 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 73.2 m -134.81 91.61 2.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.535 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -54.65 -86.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.628 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 70.0 p -163.24 -176.47 4.82 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 121.803 0.811 . . . . 0.0 112.077 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.06 148.66 8.53 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.684 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.55 130.17 51.95 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.816 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.07 161.05 8.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.934 0.397 . . . . 0.0 111.263 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . 0.441 ' HG ' ' HD1' ' E' ' 91' ' ' TYR . 87.1 p -162.6 -174.45 3.99 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.8 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . 0.441 ' HD1' ' HG ' ' E' ' 90' ' ' SER . 68.4 m-85 57.47 72.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.472 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.2 52.86 0.56 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.71 170.95 9.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.606 0.241 . . . . 0.0 110.433 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.56 158.54 9.51 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 85.0 p -163.94 179.11 7.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.596 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.77 140.72 38.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.594 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -108.94 111.27 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 44.9 t -150.68 100.23 2.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.613 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.2 178.44 16.37 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -112.39 128.7 56.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.34 . . . . 0.0 110.47 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.28 -170.29 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.545 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.85 -163.01 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.745 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 82.5 p -71.29 161.02 31.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.946 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 13.7 t -141.27 153.49 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.652 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -150.07 163.1 39.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . 0.419 HG22 ' N ' ' F' ' 48' ' ' SER . 1.0 OUTLIER -123.26 -53.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.576 -179.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . 0.419 ' N ' HG22 ' F' ' 47' ' ' THR . 71.5 m -133.54 135.84 44.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.99 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 104.71 78.93 1.27 Allowed Glycine 0 C--O 1.221 -0.675 0 C-N-CA 120.323 -0.941 . . . . 0.0 111.926 179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' F' ' 49' ' ' GLY . 64.6 m-85 29.43 69.13 0.08 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.16 94.96 0.33 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.91 96.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 110.055 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.94 147.77 15.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.253 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 39.6 t -120.8 135.11 55.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.795 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . 0.402 ' HH ' ' HD2' ' F' ' 50' ' ' TYR . 93.6 m-85 -128.79 131.22 47.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.425 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -102.94 -42.05 5.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.287 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 46.8 t -153.17 96.83 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.262 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.3 77.2 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.7 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.75 -165.04 50.87 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.45 -35.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 0.0 110.601 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.85 148.54 52.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.555 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.66 56.33 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -101.41 129.0 47.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.567 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 51.1 m -132.39 137.12 47.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.37 -160.26 1.73 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.495 -1.042 . . . . 0.0 110.495 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.03 -55.92 7.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 0.0 110.966 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.14 -92.38 0.98 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.4 131.05 57.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.903 0.382 . . . . 0.0 110.366 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.99 129.8 4.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.625 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . 0.448 ' O ' HG23 ' G' ' 71' ' ' THR . 24.0 p -109.9 141.56 42.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.515 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . 0.447 ' OG1' ' C ' ' E' ' 71' ' ' THR . 50.0 p -93.18 163.08 26.43 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.403 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -89.2 106.6 0.42 Allowed 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 123.121 2.547 . . . . 0.0 113.999 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.23 159.05 4.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.759 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.48 -97.65 1.49 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' F' ' 78' ' ' THR . 0.1 OUTLIER -122.72 40.83 3.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.852 0.358 . . . . 0.0 110.704 -179.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.61 136.28 50.88 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.65 89.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.191 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . 0.467 HG23 ' CE2' ' F' ' 75' ' ' TYR . 68.8 m -101.11 104.47 15.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.589 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.32 -144.13 11.86 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.88 71.84 0.51 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.71 134.49 41.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.72 -47.03 0.58 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.33 131.37 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.853 0.359 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.75 91.91 2.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.602 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.53 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.582 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 70.9 p -163.25 -176.05 4.59 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 120.074 -0.65 . . . . 0.0 112.01 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -165.55 148.24 7.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.528 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.47 130.47 52.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.2 161.55 8.42 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . 0.441 ' HG ' ' HD1' ' F' ' 91' ' ' TYR . 87.4 p -162.91 -174.63 3.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.702 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . 0.441 ' HD1' ' HG ' ' F' ' 90' ' ' SER . 67.3 m-85 57.91 71.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.334 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.58 52.31 0.58 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.38 171.13 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.64 0.257 . . . . 0.0 110.437 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.79 158.72 9.19 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 84.6 p -164.45 178.47 7.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.463 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 47.9 t -138.56 140.6 39.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.499 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.57 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -109.0 111.36 22.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.496 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -150.71 100.25 2.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.618 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.3 178.38 16.37 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -112.38 128.57 56.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.719 0.295 . . . . 0.0 110.477 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.15 -170.25 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.537 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.95 -163.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.727 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.27 160.95 31.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.009 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.09 153.52 45.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.613 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -150.12 163.17 38.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.578 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . 0.422 HG22 ' N ' ' G' ' 48' ' ' SER . 1.0 OUTLIER -123.36 -53.46 1.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.615 -179.753 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . 0.422 ' N ' HG22 ' G' ' 47' ' ' THR . 71.5 m -133.55 135.87 44.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.918 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 104.73 78.59 1.24 Allowed Glycine 0 C--O 1.221 -0.665 0 C-N-CA 120.336 -0.935 . . . . 0.0 111.958 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' G' ' 49' ' ' GLY . 65.1 m-85 29.78 69.05 0.09 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.1 95.08 0.34 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 66.86 96.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.073 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.89 147.76 15.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.286 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 39.5 t -120.8 135.08 55.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.758 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.71 131.34 47.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.445 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 3.1 m -103.0 -42.05 5.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.303 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -153.15 96.81 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.265 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -90.17 77.17 6.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.69 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.73 -165.06 50.82 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.41 -35.55 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 110.587 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.88 148.5 52.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.589 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.7 56.33 5.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.404 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.4 128.96 47.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.599 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 50.6 m -132.45 136.91 47.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.028 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.15 -160.31 1.63 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.09 -55.78 7.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.974 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.06 -92.4 0.99 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 30.5 p -115.36 130.82 57.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.867 0.365 . . . . 0.0 110.407 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.86 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.633 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . 0.446 ' O ' HG23 ' H' ' 71' ' ' THR . 23.8 p -109.85 141.64 42.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.552 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . 0.448 HG23 ' O ' ' F' ' 70' ' ' SER . 51.1 p -93.16 163.08 26.44 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -89.12 106.46 0.42 Allowed 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 123.192 2.594 . . . . 0.0 113.982 -176.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.09 159.02 4.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.56 -97.48 1.46 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' G' ' 78' ' ' THR . 0.1 OUTLIER -123.27 41.0 3.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.994 0.426 . . . . 0.0 110.698 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.63 136.32 50.85 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.74 89.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.974 0.416 . . . . 0.0 110.26 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . 0.467 HG23 ' CE2' ' G' ' 75' ' ' TYR . 68.1 m -101.03 104.35 15.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.634 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.2 -144.19 11.96 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.92 71.76 0.52 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.62 134.51 41.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.904 0.383 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.7 -47.21 0.58 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.46 131.37 0.02 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.857 0.361 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 72.5 m -134.71 91.82 2.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.714 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -54.5 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.543 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 72.6 p -163.28 -175.96 4.54 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.92 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 48.2 t -165.64 148.17 7.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.567 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.48 130.6 52.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -170.24 161.57 8.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.931 0.396 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . 0.443 ' HG ' ' HD1' ' G' ' 91' ' ' TYR . 87.3 p -162.94 -174.68 4.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.649 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . 0.443 ' HD1' ' HG ' ' G' ' 90' ' ' SER . 66.8 m-85 57.8 72.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.141 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.8 52.21 0.58 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.37 171.21 9.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.657 0.265 . . . . 0.0 110.477 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.83 158.73 9.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 111.054 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 84.5 p -164.44 178.49 7.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.498 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -138.59 140.62 39.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.446 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.61 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -108.92 111.34 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 45.3 t -150.67 100.31 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.633 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.35 178.53 16.36 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -112.49 128.47 56.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.06 -170.26 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.553 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.88 -163.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.749 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 82.1 p -71.25 160.94 31.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.057 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 13.9 t -141.13 153.52 45.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.679 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -150.05 163.18 38.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.564 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . 0.424 HG22 ' N ' ' H' ' 48' ' ' SER . 1.0 OUTLIER -123.34 -53.49 1.81 Allowed 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.586 -179.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . 0.424 ' N ' HG22 ' H' ' 47' ' ' THR . 71.2 m -133.44 135.76 44.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.971 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 104.87 78.62 1.24 Allowed Glycine 0 C--O 1.223 -0.571 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.933 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' H' ' 49' ' ' GLY . 65.7 m-85 29.79 68.91 0.09 Allowed 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.01 95.08 0.33 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.336 -1.105 . . . . 0.0 110.336 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 66.87 96.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 0.0 110.143 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 33.6 t -160.86 147.82 15.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.263 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 39.3 t -120.85 135.2 55.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.765 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -128.74 131.25 47.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.486 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 3.2 m -102.92 -42.02 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -153.24 96.75 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.282 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.19 77.06 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.729 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.76 -165.1 50.83 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.42 -35.51 0.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 110.562 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 43.2 t -131.94 148.49 52.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.537 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 56.71 56.25 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.474 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.39 128.93 47.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.628 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 50.3 m -132.4 137.03 47.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.25 -160.26 1.67 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.12 -55.76 7.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.655 0.264 . . . . 0.0 111.0 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.02 -92.41 0.99 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 30.6 p -115.37 130.95 57.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.804 0.335 . . . . 0.0 110.415 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -161.87 129.87 4.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.569 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . 0.434 ' O ' HG23 ' I' ' 71' ' ' THR . 24.1 p -110.02 141.51 42.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.486 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . 0.446 HG23 ' O ' ' G' ' 70' ' ' SER . 49.8 p -93.12 163.08 26.53 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -88.98 106.45 0.43 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 123.205 2.603 . . . . 0.0 114.073 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -57.12 159.07 4.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.792 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.6 -97.57 1.47 Allowed Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . 0.469 ' CE2' HG23 ' H' ' 78' ' ' THR . 0.1 OUTLIER -122.96 40.71 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 0.0 110.733 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.43 136.27 50.82 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.82 89.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.912 0.387 . . . . 0.0 110.107 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . 0.469 HG23 ' CE2' ' H' ' 75' ' ' TYR . 68.1 m -101.01 104.45 15.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.604 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.29 -144.16 11.89 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.073 -1.211 . . . . 0.0 110.073 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.96 71.96 0.5 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -53.86 134.5 42.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.964 0.411 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.77 -47.14 0.58 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 5.0 t 172.44 131.46 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.882 0.372 . . . . 0.0 110.863 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.74 91.89 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.587 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -54.56 -87.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.559 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 72.8 p -163.22 -175.9 4.53 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.907 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.71 148.18 7.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.588 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.39 130.53 52.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.31 161.56 8.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.9 0.381 . . . . 0.0 111.156 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . 0.443 ' HG ' ' HD1' ' H' ' 91' ' ' TYR . 87.4 p -162.9 -174.66 4.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.712 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . 0.443 ' HD1' ' HG ' ' H' ' 90' ' ' SER . 67.2 m-85 57.77 72.21 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.182 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.85 52.08 0.58 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.27 171.24 9.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.681 0.277 . . . . 0.0 110.479 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.8 158.81 9.23 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.019 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 84.7 p -164.51 178.43 7.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 47.8 t -138.55 140.66 39.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.456 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.569 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -108.87 111.31 22.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.631 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 45.2 t -150.67 100.44 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.595 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -122.44 178.47 16.36 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -112.43 128.68 56.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.682 0.277 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -136.17 -170.27 2.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.554 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.82 -163.09 1.7 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.712 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 82.4 p -71.17 161.11 31.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 14.5 t -141.41 153.28 44.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.696 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -150.27 162.27 40.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.596 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . 0.427 HG22 ' N ' ' I' ' 48' ' ' SER . 1.0 OUTLIER -122.76 -54.03 1.86 Allowed 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.536 -179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . 0.427 ' N ' HG22 ' I' ' 47' ' ' THR . 72.2 m -132.84 135.89 45.91 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.033 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 104.99 78.55 1.23 Allowed Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.308 -0.949 . . . . 0.0 111.851 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' I' ' 49' ' ' GLY . 64.8 m-85 29.77 70.31 0.07 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.12 95.15 0.41 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 66.81 95.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.918 0.39 . . . . 0.0 110.137 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 33.5 t -160.15 148.0 16.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.357 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 39.4 t -120.83 135.14 55.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.763 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -128.78 131.27 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.478 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 3.3 m -102.98 -42.02 5.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -153.24 96.83 2.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.276 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -90.22 77.15 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.659 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.63 -165.08 50.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -142.36 -35.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.721 0.296 . . . . 0.0 110.637 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 43.4 t -131.84 148.51 52.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 56.59 56.38 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.505 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -101.46 129.0 47.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.565 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 49.5 m -132.39 137.07 47.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.44 -160.15 1.74 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.26 -55.66 8.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.516 0.198 . . . . 0.0 110.942 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.04 -92.46 0.99 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 30.8 p -115.21 131.14 57.02 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.402 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -162.01 129.94 4.07 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.446 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 26.1 p -110.21 140.97 43.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.449 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . 0.434 HG23 ' O ' ' H' ' 70' ' ' SER . 46.6 p -91.82 164.77 22.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -89.98 107.02 0.37 Allowed 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 123.158 2.572 . . . . 0.0 113.989 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -57.6 158.85 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.827 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.26 -97.35 1.39 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . 0.473 ' CE2' HG23 ' I' ' 78' ' ' THR . 0.1 OUTLIER -122.66 39.29 3.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.72 0.295 . . . . 0.0 110.745 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.15 136.51 48.36 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.66 89.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.417 . . . . 0.0 110.167 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . 0.473 HG23 ' CE2' ' I' ' 75' ' ' TYR . 67.3 m -100.84 104.35 15.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.739 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.24 -143.91 11.77 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.89 72.01 0.49 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -53.9 134.95 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.043 0.449 . . . . 0.0 110.739 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 151.59 -46.91 0.59 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 172.37 131.46 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 73.1 m -134.77 91.99 2.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.544 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -54.33 -86.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.645 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 76.1 p -163.46 -175.97 4.48 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.213 -0.595 . . . . 0.0 111.532 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 48.3 t -165.69 148.44 7.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -124.58 130.69 52.91 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.733 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 3.8 m -170.39 161.46 8.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.923 0.392 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . 0.452 ' HG ' ' HD1' ' I' ' 91' ' ' TYR . 87.4 p -162.9 -174.65 4.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.567 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . 0.452 ' HD1' ' HG ' ' I' ' 90' ' ' SER . 69.2 m-85 57.49 71.85 0.55 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.332 0.587 . . . . 0.0 111.455 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.77 51.71 0.59 Allowed Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.93 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.36 171.25 9.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.627 0.251 . . . . 0.0 110.412 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.75 158.84 9.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.05 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 85.0 p -164.45 178.41 7.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.483 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 47.5 t -138.62 140.65 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.425 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.551 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.85 84.88 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.1 p -162.32 145.48 11.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.559 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.73 121.18 21.42 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -138.48 158.67 43.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.574 0.226 . . . . 0.0 110.411 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.9 p -159.65 158.43 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.543 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -158.64 156.73 30.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.714 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.9 m -129.33 146.0 51.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.1 m -122.47 126.59 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.638 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -140.65 142.86 34.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.093 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.22 -51.38 1.76 Allowed 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.544 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.6 t -136.42 140.95 43.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.148 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.87 74.55 1.22 Allowed Glycine 0 CA--C 1.524 0.609 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.519 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 37.02 70.42 0.17 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.29 95.12 0.5 Allowed Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 67.48 88.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.42 147.53 15.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.649 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.36 146.07 51.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.415 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.81 40.5 20.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.46 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.28 -37.53 77.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.631 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.4 m -132.04 144.76 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.31 54.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.28 149.3 42.12 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -109.57 17.01 21.8 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.054 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.45 -61.13 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.746 0.308 . . . . 0.0 110.577 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.84 126.91 53.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -133.39 105.19 6.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.4 m -114.08 130.73 56.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.636 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.04 -161.22 0.9 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.34 -58.77 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.834 0.35 . . . . 0.0 110.826 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.4 -99.57 1.25 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.64 121.38 44.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.026 0.441 . . . . 0.0 110.772 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.48 133.99 1.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.791 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.0 t -105.68 124.94 50.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.546 HG22 ' HD2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -77.62 170.08 17.98 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.065 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.546 ' HD2' HG22 ' A' ' 71' ' ' THR . 53.2 Cg_exo -54.22 105.58 0.14 Allowed 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.253 1.969 . . . . 0.0 112.533 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -63.59 111.84 2.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.05 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.46 121.05 0.34 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.1 t80 58.64 83.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.143 0.497 . . . . 0.0 111.092 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.99 -89.96 0.08 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -141.53 161.09 38.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 111.196 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.19 104.88 3.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.34 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.61 84.83 0.38 Allowed Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.28 -128.5 2.39 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -89.72 51.6 2.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.77 0.319 . . . . 0.0 110.732 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.99 -132.25 48.96 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m 41.02 51.05 3.25 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.153 0.502 . . . . 0.0 110.445 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 p -111.65 83.39 1.77 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.841 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.11 124.06 26.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.675 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.65 -175.01 4.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.942 0.401 . . . . 0.0 111.027 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.7 t -154.19 140.42 18.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.314 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.27 -173.48 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.929 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.3 p -151.33 161.28 42.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.33 113.93 15.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.678 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -129.16 100.43 5.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.049 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.79 53.25 0.56 Allowed Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.682 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.65 114.47 26.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.612 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.92 133.59 22.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.81 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -125.06 127.3 46.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.481 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.19 -165.73 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.688 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.491 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.91 84.87 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.574 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -162.51 145.07 11.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.643 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.28 121.14 21.99 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -138.41 158.76 43.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.709 0.29 . . . . 0.0 110.457 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 97.1 p -159.77 158.51 31.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.666 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -158.74 156.76 30.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.631 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.29 145.96 51.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.513 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -122.59 126.28 47.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.695 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.27 142.5 35.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.253 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.39 -51.4 1.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.423 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -136.17 141.48 44.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.351 . . . . 0.0 111.189 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.14 76.35 1.32 Allowed Glycine 0 C--O 1.223 -0.544 0 C-N-CA 120.339 -0.934 . . . . 0.0 112.181 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.24 70.99 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.79 95.17 0.54 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 67.6 88.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.45 147.48 15.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.71 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.35 146.06 51.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 49.73 40.54 20.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.522 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.32 -37.46 77.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.608 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.0 m -132.09 144.85 51.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.48 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -146.41 54.31 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.561 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.25 149.21 42.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -109.59 17.18 21.61 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.798 0.332 . . . . 0.0 110.574 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.8 126.95 53.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.38 105.15 6.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.607 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -113.95 130.9 56.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.13 -161.1 0.9 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.57 -58.72 3.54 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.756 0.312 . . . . 0.0 110.819 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.55 -99.75 1.26 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.4 121.41 44.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.775 0.321 . . . . 0.0 110.765 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.54 133.15 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.826 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.77 124.98 50.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.711 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.553 HG22 ' HD2' ' B' ' 72' ' ' PRO . 0.1 OUTLIER -77.64 169.9 18.82 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.044 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.553 ' HD2' HG22 ' B' ' 71' ' ' THR . 52.3 Cg_exo -54.23 103.67 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.432 2.088 . . . . 0.0 112.809 -179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.48 112.24 2.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.296 0.373 . . . . 0.0 110.455 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.4 121.06 0.33 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.84 83.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.411 . . . . 0.0 110.969 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.97 -89.89 0.08 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 55.2 m -141.28 161.32 38.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.865 0.364 . . . . 0.0 111.19 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.26 104.16 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.524 179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.06 85.01 0.38 Allowed Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.46 -128.52 2.38 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.301 -0.719 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -89.86 52.31 2.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.921 0.391 . . . . 0.0 110.644 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.35 -132.22 50.08 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.87 51.24 3.15 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.303 0.573 . . . . 0.0 110.555 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.58 83.42 1.78 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.751 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.19 123.36 25.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.773 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.9 -175.0 4.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -154.09 140.44 18.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.375 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.23 -173.44 0.92 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.057 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 94.9 p -151.4 161.29 42.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.751 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.96 15.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.694 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -129.5 100.64 5.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.04 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.62 53.61 0.55 Allowed Glycine 0 CA--C 1.526 0.75 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.681 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.76 114.43 26.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.77 0.319 . . . . 0.0 110.56 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.94 133.57 22.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 70.2 m -124.99 127.3 46.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.543 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.19 -165.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.711 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 58.8 t80 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.447 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.81 84.8 3.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.664 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 79.1 p -162.49 144.94 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.713 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.2 121.2 22.28 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -138.5 158.76 43.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.408 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 97.8 p -159.75 158.47 31.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.692 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -158.74 156.73 30.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.656 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.21 145.94 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.537 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.8 m -122.55 126.21 47.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.727 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.23 142.37 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.288 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.26 -51.35 1.76 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.542 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -136.27 141.48 43.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 111.123 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.06 76.53 1.33 Allowed Glycine 0 C--O 1.224 -0.515 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.262 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 34.98 71.09 0.12 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.86 95.15 0.54 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 67.64 88.42 0.11 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.849 0.357 . . . . 0.0 110.045 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.44 147.37 15.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.707 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.26 146.18 51.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.472 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.7 40.42 19.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 89.4 p -59.13 -37.57 77.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.628 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.9 m -132.04 144.88 51.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.453 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -146.34 54.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.655 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.17 149.23 42.19 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.48 17.08 21.79 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.59 -61.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.502 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.73 126.97 53.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.539 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.46 105.16 6.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 94.6 m -113.96 130.81 56.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.578 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.02 -161.17 0.89 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.51 -58.8 3.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.694 0.283 . . . . 0.0 110.73 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.58 -99.7 1.26 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.43 121.42 44.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.776 0.322 . . . . 0.0 110.778 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -168.58 133.12 1.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.857 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.7 125.04 50.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.729 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.555 HG22 ' HD2' ' C' ' 72' ' ' PRO . 0.1 OUTLIER -77.69 169.92 18.75 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.056 179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . 0.555 ' HD2' HG22 ' C' ' 71' ' ' THR . 52.1 Cg_exo -54.24 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.476 2.118 . . . . 0.0 112.78 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.31 112.16 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.818 0.342 . . . . 0.0 110.497 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.52 121.05 0.34 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.72 83.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.012 0.434 . . . . 0.0 110.897 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.02 -89.8 0.08 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 54.3 m -141.3 161.37 38.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.161 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.31 104.18 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.55 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.04 85.0 0.38 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.5 -128.5 2.37 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -89.86 52.44 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.397 . . . . 0.0 110.647 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.38 -132.35 50.07 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.88 51.3 3.17 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.268 0.556 . . . . 0.0 110.556 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.65 83.52 1.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.747 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.28 123.27 25.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.81 -174.87 4.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.062 0.458 . . . . 0.0 110.991 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -154.17 140.38 18.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.323 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.45 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.809 -0.357 . . . . 0.0 111.09 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -151.35 161.28 42.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.702 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.88 15.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.667 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -129.43 100.81 5.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.092 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.47 53.64 0.56 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.628 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.73 114.47 26.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.78 0.324 . . . . 0.0 110.547 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.98 133.59 22.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.806 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 70.7 m -125.08 127.39 46.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.454 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.0 -165.7 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.721 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.53 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.78 84.83 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.63 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 79.3 p -162.5 144.85 10.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.747 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.08 121.1 22.19 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -138.49 158.75 43.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.672 0.272 . . . . 0.0 110.562 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 96.2 p -159.73 158.43 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.728 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.68 156.75 30.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.756 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -129.36 146.05 51.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.0 m -122.67 126.12 46.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.811 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -140.18 142.51 35.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.204 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.4 -51.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.34 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -135.97 141.61 44.45 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.278 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.95 76.52 1.33 Allowed Glycine 0 C--O 1.223 -0.57 0 C-N-CA 120.327 -0.94 . . . . 0.0 112.237 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.03 71.09 0.12 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.83 95.14 0.54 Allowed Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 67.57 88.42 0.11 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.827 0.346 . . . . 0.0 110.128 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 47.2 t -160.45 147.4 15.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.715 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 89.5 p -132.31 146.06 51.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.488 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.78 40.47 20.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.559 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.31 -37.38 77.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.656 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.4 m -132.11 144.71 50.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.524 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.25 54.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.16 149.23 42.21 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.55 17.06 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.54 -61.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.815 0.34 . . . . 0.0 110.539 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.78 126.91 53.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.4 105.18 6.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -113.98 130.78 56.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.12 -161.16 0.91 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -58.77 3.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.668 0.271 . . . . 0.0 110.704 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.46 -99.69 1.26 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.4 121.41 44.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.779 0.324 . . . . 0.0 110.784 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.54 133.22 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.864 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.72 125.08 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.751 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . 0.555 HG22 ' HD2' ' D' ' 72' ' ' PRO . 0.1 OUTLIER -77.81 169.9 18.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.075 179.821 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . 0.555 ' HD2' HG22 ' D' ' 71' ' ' THR . 52.4 Cg_exo -54.17 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.487 2.125 . . . . 0.0 112.817 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.29 112.28 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.306 0.379 . . . . 0.0 110.474 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.36 121.02 0.33 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.78 83.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.99 0.424 . . . . 0.0 110.974 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.02 -89.83 0.08 OUTLIER Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 56.0 m -141.34 161.42 37.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.899 0.38 . . . . 0.0 111.152 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.34 104.26 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.8 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.18 85.15 0.39 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.58 -128.51 2.36 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.99 52.58 2.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.928 0.394 . . . . 0.0 110.64 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.24 -132.25 50.28 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 40.84 51.3 3.14 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 121.292 0.568 . . . . 0.0 110.545 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.62 83.45 1.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.721 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.21 123.32 25.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.774 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.84 -175.03 4.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 111.027 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -153.95 140.4 18.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.377 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.47 0.92 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.019 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 94.8 p -151.33 161.29 42.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.745 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.82 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.687 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -129.55 100.79 5.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.049 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.52 53.69 0.56 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.635 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.71 114.43 26.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.74 0.305 . . . . 0.0 110.528 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.97 133.56 22.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.745 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -125.04 127.41 46.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.08 -165.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.669 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.448 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -95.42 84.99 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.066 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 79.2 p -162.84 144.43 10.12 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.718 0.294 . . . . 0.0 110.519 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -63.85 120.9 21.88 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -138.39 158.67 43.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.741 0.305 . . . . 0.0 110.445 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 96.8 p -159.66 158.45 31.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.685 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.69 156.68 30.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.68 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 75.3 m -129.2 145.96 51.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.561 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -122.56 126.35 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.694 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -139.92 142.62 36.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.18 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . 0.423 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -125.02 -49.58 1.71 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 119.173 -1.011 . . . . 0.0 112.511 177.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . 0.423 ' N ' HG22 ' E' ' 47' ' ' THR . 23.2 t -131.58 139.76 49.28 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.02 71.71 1.04 Allowed Glycine 0 C--O 1.217 -0.927 0 C-N-CA 118.084 -2.007 . . . . 0.0 112.885 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 33.45 76.01 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.455 0.645 . . . . 0.0 111.03 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.39 92.95 0.6 Allowed Glycine 0 CA--C 1.518 0.222 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 68.38 88.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.946 0.403 . . . . 0.0 110.004 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.48 147.42 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.729 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.26 146.19 51.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.42 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 49.77 40.5 20.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.447 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.32 -37.49 77.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.603 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -132.02 144.78 51.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.571 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -146.28 54.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.12 149.24 42.3 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.57 17.1 21.71 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.58 -61.18 0.09 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.763 0.316 . . . . 0.0 110.586 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.85 126.61 53.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.561 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.1 104.82 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.744 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -113.83 130.75 56.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.61 -162.15 0.9 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -59.06 3.05 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.664 0.269 . . . . 0.0 110.74 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.64 -99.26 1.2 Allowed Glycine 0 CA--C 1.521 0.409 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.66 121.08 43.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.749 0.309 . . . . 0.0 110.684 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -168.21 134.41 1.95 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.319 0.581 . . . . 0.0 110.686 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -106.15 126.75 52.6 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.125 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . 0.553 HG22 ' HD2' ' E' ' 72' ' ' PRO . 0.1 OUTLIER -79.08 169.73 19.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 O-C-N 124.604 1.19 . . . . 0.0 109.778 -179.577 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . 0.553 ' HD2' HG22 ' E' ' 71' ' ' THR . 50.8 Cg_exo -55.57 107.9 0.28 Allowed 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.222 1.281 . . . . 0.0 111.778 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -64.19 114.09 3.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.912 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.85 119.95 0.26 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 4.0 t80 60.53 81.69 0.18 Allowed 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.328 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.4 -89.47 0.08 OUTLIER Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 56.5 m -141.45 161.28 38.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.079 0.466 . . . . 0.0 111.0 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.71 104.07 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.131 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.25 84.91 0.38 Allowed Glycine 0 CA--C 1.547 2.062 0 C-N-CA 120.379 -0.915 . . . . 0.0 111.726 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.53 -128.32 2.35 Favored Glycine 0 C--N 1.355 1.608 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -89.96 51.93 2.17 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.93 0.395 . . . . 0.0 111.27 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.3 -131.69 49.9 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m 39.98 52.26 2.63 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 123.68 0.282 . . . . 0.0 110.464 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 3.7 p -112.42 83.14 1.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.117 0.885 . . . . 0.0 110.26 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -133.19 122.77 24.48 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-O 121.455 0.645 . . . . 0.0 110.811 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.1 -176.34 5.18 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.933 -0.48 . . . . 0.0 110.887 -178.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -153.36 140.37 19.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.32 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.37 0.91 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.003 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -150.89 161.77 42.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.61 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -129.2 113.65 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.867 0.73 . . . . 0.0 111.224 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -128.63 99.85 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.367 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.02 53.01 0.55 Allowed Glycine 0 CA--C 1.525 0.718 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.726 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.31 114.15 25.8 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.805 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.83 133.76 22.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.85 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -124.93 127.28 46.81 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.316 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.3 -165.73 0.17 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.049 0.843 . . . . 0.0 110.563 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.459 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.97 84.84 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.591 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -162.49 144.89 10.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.618 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.15 121.18 22.3 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.474 -0.651 . . . . 0.0 111.474 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -138.42 158.69 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.696 0.284 . . . . 0.0 110.513 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 97.7 p -159.74 158.45 31.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.691 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.63 156.75 30.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.682 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.34 146.01 51.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.531 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -122.56 126.29 47.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.629 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -140.24 142.32 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.297 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.27 -51.48 1.76 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.439 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 26.8 t -136.02 141.6 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.924 0.392 . . . . 0.0 111.189 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.88 76.85 1.34 Allowed Glycine 0 C--O 1.222 -0.599 0 C-N-CA 120.283 -0.961 . . . . 0.0 112.123 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 34.66 71.25 0.11 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.87 95.11 0.54 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 67.61 88.31 0.11 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.848 0.356 . . . . 0.0 110.085 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.33 147.43 15.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.706 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 89.4 p -132.29 146.13 51.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 49.76 40.49 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.497 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.26 -37.51 77.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.638 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.5 m -132.01 144.76 51.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.521 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.3 54.25 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.614 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.05 149.19 42.34 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.48 17.0 21.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.575 0.226 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.737 0.303 . . . . 0.0 110.606 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -116.73 126.84 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.542 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.35 105.15 6.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.648 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -113.97 130.94 56.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.579 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.19 -161.12 0.93 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.49 -58.83 3.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.735 0.303 . . . . 0.0 110.751 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.54 -99.72 1.26 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.38 121.56 45.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.705 0.288 . . . . 0.0 110.761 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -168.65 133.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.822 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 28.8 t -104.73 125.08 50.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.704 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . 0.556 HG22 ' HD2' ' F' ' 72' ' ' PRO . 0.1 OUTLIER -77.78 169.93 18.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.036 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . 0.556 ' HD2' HG22 ' F' ' 71' ' ' THR . 51.9 Cg_exo -54.17 103.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.51 2.14 . . . . 0.0 112.814 -178.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.2 112.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.246 0.341 . . . . 0.0 110.526 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.46 121.3 0.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.85 83.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.89 0.08 OUTLIER Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 55.4 m -141.27 161.34 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 111.119 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.3 104.19 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.48 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.07 85.07 0.39 Allowed Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.759 -0.937 . . . . 0.0 110.759 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.5 -128.58 2.38 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.87 52.44 2.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.923 0.392 . . . . 0.0 110.611 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 -132.27 50.13 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.86 51.32 3.15 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 121.239 0.542 . . . . 0.0 110.57 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 3.8 p -111.75 83.54 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.606 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.25 123.26 25.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.759 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.82 -174.94 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.973 0.416 . . . . 0.0 111.094 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 46.8 t -154.03 140.31 18.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.345 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.17 -173.44 0.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 94.7 p -151.33 161.33 42.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.763 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.18 113.82 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.673 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.45 100.78 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.041 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.48 53.75 0.56 Allowed Glycine 0 CA--C 1.526 0.762 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.614 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.7 114.39 26.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.729 0.299 . . . . 0.0 110.564 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.98 133.53 22.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.795 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 70.4 m -124.98 127.42 47.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.04 -165.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.658 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.473 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.91 84.82 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.598 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -162.5 144.9 10.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.643 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.21 121.2 22.27 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -138.5 158.7 43.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.725 0.298 . . . . 0.0 110.435 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 96.5 p -159.74 158.47 31.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.709 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.68 156.78 30.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.718 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -129.28 145.98 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.525 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -122.53 126.21 47.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.686 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -140.26 142.46 35.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.22 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.41 -51.29 1.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.471 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 26.5 t -136.22 141.52 43.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.99 76.51 1.33 Allowed Glycine 0 C--O 1.222 -0.612 0 C-N-CA 120.329 -0.939 . . . . 0.0 112.172 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 35.16 71.07 0.12 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.89 95.16 0.54 Allowed Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 67.58 88.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 47.1 t -160.41 147.42 15.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.702 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.29 146.15 51.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 49.78 40.45 20.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.516 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 89.2 p -59.25 -37.49 77.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.658 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -132.02 144.78 51.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.564 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.32 54.22 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.519 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.15 149.2 42.2 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -109.49 17.03 21.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 -61.18 0.09 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.791 0.329 . . . . 0.0 110.573 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.72 126.91 53.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.569 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.39 105.17 6.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -113.97 130.92 56.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.556 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.23 -161.05 0.92 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.55 -58.8 3.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.62 0.248 . . . . 0.0 110.784 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.54 -99.69 1.26 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.45 121.43 44.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.726 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -168.59 133.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.828 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -104.79 125.09 50.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.73 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . 0.559 HG22 ' HD2' ' G' ' 72' ' ' PRO . 0.1 OUTLIER -77.71 169.9 18.84 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.047 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . 0.559 ' HD2' HG22 ' G' ' 71' ' ' THR . 52.0 Cg_exo -54.15 103.39 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.547 2.165 . . . . 0.0 112.776 -179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.24 112.24 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.831 0.348 . . . . 0.0 110.547 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.56 121.0 0.35 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 3.9 t80 58.73 83.72 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.391 . . . . 0.0 110.953 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.85 0.08 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 55.7 m -141.32 161.41 37.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.922 0.392 . . . . 0.0 111.093 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.32 104.09 3.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.508 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.08 85.17 0.39 Allowed Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.54 -128.48 2.36 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -89.94 52.47 2.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 110.643 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 -132.27 50.13 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.81 51.37 3.12 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.282 0.563 . . . . 0.0 110.538 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 4.0 p -111.67 83.51 1.79 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.722 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.25 123.22 25.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.723 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.81 -174.94 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 111.07 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 46.2 t -154.06 140.32 18.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.324 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.1 -173.37 0.93 Allowed 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.043 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 95.4 p -151.37 161.32 42.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.7 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.25 113.93 15.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.67 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -129.49 100.79 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.45 53.67 0.56 Allowed Glycine 0 CA--C 1.526 0.777 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.677 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.71 114.43 26.41 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.597 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.97 133.56 22.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.747 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 70.5 m -125.02 127.41 46.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.461 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 5.5 t 58.13 -165.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.721 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 58.9 t80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.459 179.876 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.9 84.8 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.549 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 79.1 p -162.48 144.98 11.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.61 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.19 121.34 22.64 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -138.61 158.75 43.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.7 0.286 . . . . 0.0 110.461 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 95.6 p -159.78 158.47 31.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.684 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.72 156.74 30.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.695 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -129.26 145.98 51.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.586 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -122.58 126.17 47.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.721 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -140.19 142.41 35.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.294 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.29 -51.4 1.76 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.483 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -136.24 141.45 43.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.231 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.2 76.46 1.32 Allowed Glycine 0 C--O 1.224 -0.513 0 C-N-CA 120.276 -0.964 . . . . 0.0 112.232 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 35.04 71.05 0.12 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.77 95.17 0.54 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 67.54 88.37 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.851 0.358 . . . . 0.0 110.096 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -160.37 147.37 15.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.693 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 89.7 p -132.29 146.15 51.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.444 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 49.75 40.54 20.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.489 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.41 -37.38 77.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.591 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 58.7 m -132.07 144.76 50.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.521 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -146.32 54.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.18 149.25 42.2 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -109.56 17.06 21.75 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.53 -61.09 0.09 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 0.0 110.575 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.88 126.85 53.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.508 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.37 105.25 6.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -114.07 130.9 56.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.15 -160.99 0.89 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.63 -58.77 3.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.659 0.266 . . . . 0.0 110.779 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.55 -99.72 1.26 Allowed Glycine 0 CA--C 1.525 0.66 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.532 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.44 121.43 44.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.686 0.279 . . . . 0.0 110.818 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -168.56 133.26 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.76 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 28.7 t -104.84 125.14 50.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.693 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . 0.559 HG22 ' HD2' ' H' ' 72' ' ' PRO . 0.1 OUTLIER -77.74 169.84 19.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.066 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . 0.559 ' HD2' HG22 ' H' ' 71' ' ' THR . 52.3 Cg_exo -54.21 103.41 0.09 OUTLIER 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.518 2.145 . . . . 0.0 112.754 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.32 112.25 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.909 0.385 . . . . 0.0 110.497 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.59 121.16 0.35 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 58.75 83.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.95 -89.83 0.08 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 56.8 m -141.29 161.39 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 111.087 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.29 104.03 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.47 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.94 85.16 0.39 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.52 -128.55 2.37 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -90.04 52.66 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.57 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.19 -132.31 50.39 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 40.91 51.34 3.18 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.27 0.557 . . . . 0.0 110.545 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.71 83.53 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.709 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -133.24 123.26 25.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.72 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.85 -175.04 4.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 111.067 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.6 t -153.91 140.41 18.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.407 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.2 -173.52 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.065 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 95.1 p -151.27 161.27 43.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.796 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.11 113.88 15.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.684 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.54 100.7 5.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.099 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.57 53.71 0.55 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.953 -0.642 . . . . 0.0 111.672 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.66 114.26 26.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.698 0.285 . . . . 0.0 110.617 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -144.9 133.66 22.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.768 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 70.6 m -125.13 127.39 46.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.432 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.11 -165.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.688 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 59.5 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.522 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.94 84.76 3.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.565 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 79.2 p -162.25 144.93 11.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.631 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.17 121.62 23.41 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -139.06 158.62 43.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.877 0.37 . . . . 0.0 110.408 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 94.7 p -159.65 158.6 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.754 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -158.9 156.71 30.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.638 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -129.17 145.94 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.601 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.6 m -122.79 126.01 46.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.061 0.458 . . . . 0.0 110.683 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -140.28 141.46 35.8 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -123.7 -51.98 1.81 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.424 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 27.3 t -135.51 141.86 45.35 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.232 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.99 76.47 1.33 Allowed Glycine 0 C--O 1.224 -0.505 0 C-N-CA 120.276 -0.964 . . . . 0.0 112.208 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 34.86 72.54 0.09 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.98 94.93 0.63 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 67.6 87.8 0.12 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.871 0.367 . . . . 0.0 110.162 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.0 t -159.78 147.54 16.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.731 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 89.6 p -132.39 146.18 51.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.447 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 49.68 40.66 20.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.528 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 89.1 p -59.39 -37.54 78.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.613 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 58.5 m -131.98 144.83 51.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.485 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -146.44 54.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.27 149.31 42.15 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -109.62 17.08 21.69 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.52 -61.21 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.832 0.349 . . . . 0.0 110.576 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -116.67 126.93 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -133.53 105.19 6.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.598 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -113.84 131.0 56.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.513 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.27 -160.95 0.92 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.74 -58.77 3.55 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.493 0.187 . . . . 0.0 110.675 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.6 -99.83 1.27 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.555 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.37 121.46 44.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.599 0.238 . . . . 0.0 110.646 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -168.62 133.02 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.659 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 29.6 t -104.45 125.8 50.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.603 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . 0.563 HG22 ' HD2' ' I' ' 72' ' ' PRO . 0.1 OUTLIER -78.41 169.92 18.61 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.827 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . 0.563 ' HD2' HG22 ' I' ' 71' ' ' THR . 52.0 Cg_exo -54.32 103.39 0.09 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.631 2.221 . . . . 0.0 112.52 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -61.18 112.6 2.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.789 0.328 . . . . 0.0 110.575 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.43 121.15 0.34 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 3.8 t80 59.0 83.73 0.12 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.618 0.247 . . . . 0.0 110.699 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.88 -89.62 0.08 OUTLIER Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 54.7 m -141.19 161.45 37.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.78 0.324 . . . . 0.0 111.071 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.27 103.39 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.648 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.42 85.44 0.4 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -141.78 -128.58 2.35 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -90.11 53.66 2.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.976 0.417 . . . . 0.0 110.468 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.05 -133.02 52.74 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 2.4 m 41.82 51.18 4.11 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.234 0.54 . . . . 0.0 110.517 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 3.9 p -111.8 83.53 1.8 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.654 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -133.11 123.07 25.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.688 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.79 -175.52 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 0.0 111.024 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 46.3 t -153.5 140.49 19.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.378 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -173.25 -173.62 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.011 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 95.7 p -151.12 161.32 42.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.781 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -129.07 113.8 15.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -129.79 100.94 5.67 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.091 0.472 . . . . 0.0 111.066 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.35 54.1 0.55 Allowed Glycine 0 CA--C 1.527 0.834 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.66 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.61 114.32 26.23 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.634 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -145.02 133.59 22.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.784 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 70.1 m -125.1 127.34 46.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.471 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 5.6 t 58.06 -165.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.685 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.531 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 52.0 86.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.7 t -141.58 134.72 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.587 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.55 130.97 10.42 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -127.83 127.18 43.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 110.605 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.2 t -147.7 145.97 29.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.56 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.91 -171.5 2.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.792 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.95 159.11 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -127.21 130.27 49.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.681 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -127.4 149.54 50.03 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.323 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.22 -52.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.163 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -134.95 132.16 38.09 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.592 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.38 74.89 0.79 Allowed Glycine 0 CA--C 1.527 0.807 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.061 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.517 ' HD2' ' HH ' ' A' ' 55' ' ' TYR . 70.7 m-85 29.13 69.99 0.07 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.164 0.567 . . . . 0.0 112.368 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.82 93.96 0.23 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 67.07 94.72 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.7 t -160.72 149.46 16.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.82 138.36 53.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.517 ' HH ' ' HD2' ' A' ' 50' ' ' TYR . 89.6 m-85 -129.46 143.73 50.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -149.66 137.92 20.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.487 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.6 p -156.18 160.83 40.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.648 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -132.42 148.65 52.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.622 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.46 -151.97 48.9 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.04 139.7 56.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.564 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.8 116.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.66 118.78 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.467 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.73 100.34 11.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.658 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.6 m -115.14 128.65 56.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.416 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.13 -166.64 1.07 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -54.83 18.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 111.116 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.42 -105.89 1.34 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.421 HG21 ' HB2' ' A' ' 96' ' ' SER . 44.6 p -108.36 107.76 18.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.148 0.499 . . . . 0.0 110.136 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.1 tm0? -148.1 135.58 20.63 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.695 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.2 m -110.68 136.25 50.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.117 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.407 ' C ' ' OG1' ' B' ' 71' ' ' THR . 33.4 p -73.8 166.0 48.2 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.465 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.402 ' N ' ' OG1' ' B' ' 71' ' ' THR . 44.8 Cg_endo -88.6 105.49 0.46 Allowed 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.523 2.149 . . . . 0.0 113.671 -176.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.29 120.04 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.243 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.98 -87.81 0.27 Allowed Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -129.22 86.94 2.49 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.493 0.663 . . . . 0.0 110.621 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.34 104.63 2.99 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.245 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.76 122.0 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 111.124 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 85.6 m -110.38 110.28 21.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.86 90.51 0.61 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.74 123.38 0.69 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -93.79 -40.98 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.4 -67.82 1.14 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -148.39 112.82 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.22 84.72 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.345 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.9 118.6 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.354 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.0 p -145.46 167.1 23.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 0.0 111.17 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.4 t -139.13 129.7 25.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.011 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.15 173.08 16.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.901 0.381 . . . . 0.0 111.177 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.1 p -166.68 157.85 12.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -164.05 175.35 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.452 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.73 75.15 0.05 Allowed 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.38 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.19 49.95 0.13 Allowed Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -97.65 114.28 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.625 0.25 . . . . 0.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.97 128.57 38.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.27 119.32 28.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.285 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.421 ' HB2' HG21 ' A' ' 68' ' ' THR . 6.1 t 66.14 -165.63 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.636 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.425 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 51.98 86.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -141.61 134.69 29.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.523 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.62 131.01 10.44 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -127.7 127.36 43.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.344 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 48.3 t -147.82 145.99 28.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.89 -171.49 2.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.675 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -70.97 159.21 35.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.4 m -127.33 130.18 49.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.686 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -127.11 149.2 50.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.49 -52.3 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.04 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.78 132.44 38.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.492 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 109.98 77.23 0.93 Allowed Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.714 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.522 ' HD2' ' HH ' ' B' ' 55' ' ' TYR . 69.5 m-85 26.24 70.77 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.06 94.01 0.24 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.19 94.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.83 0.348 . . . . 0.0 110.129 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 32.7 t -160.71 149.46 16.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.55 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.82 138.41 53.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.556 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.522 ' HH ' ' HD2' ' B' ' 50' ' ' TYR . 89.7 m-85 -129.54 143.76 50.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.737 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.71 137.88 20.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.458 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 97.5 p -156.14 160.73 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.609 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -132.35 148.59 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.51 -152.04 48.91 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -68.06 139.7 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.615 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 12.5 p -179.73 116.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.587 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.61 118.78 21.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.494 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.81 100.45 11.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -115.03 128.74 56.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.42 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.33 -166.51 1.12 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.41 -54.83 18.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.646 0.26 . . . . 0.0 110.999 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.83 -106.39 1.36 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.421 HG21 ' HB2' ' B' ' 96' ' ' SER . 44.9 p -108.05 107.65 18.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.768 0.318 . . . . 0.0 110.201 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -148.05 134.86 20.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.714 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 66.0 m -109.84 136.05 49.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.132 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.426 ' C ' ' OG1' ' C' ' 71' ' ' THR . 36.0 p -74.06 166.64 42.77 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.288 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.409 ' N ' ' OG1' ' C' ' 71' ' ' THR . 44.3 Cg_endo -89.03 103.4 0.39 Allowed 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.803 2.335 . . . . 0.0 114.329 -175.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.25 120.17 6.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.492 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.06 -87.69 0.27 Allowed Glycine 0 CA--C 1.527 0.844 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.0 86.75 2.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.186 0.517 . . . . 0.0 110.59 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.98 105.03 3.01 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.63 122.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 86.5 m -110.17 110.15 20.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.351 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.68 90.75 0.63 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.84 123.5 0.7 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -93.95 -41.44 9.59 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.28 -67.48 1.21 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 45.5 t -148.42 112.86 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.22 84.86 2.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.331 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -126.01 118.19 24.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.362 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 96.8 p -145.01 167.16 23.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.018 0.437 . . . . 0.0 111.198 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -139.01 129.66 26.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.033 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.07 173.16 16.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.869 0.366 . . . . 0.0 111.325 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.71 157.84 12.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.613 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.1 t -164.0 175.37 10.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.675 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.94 77.0 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.11 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.36 50.09 0.11 Allowed Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.387 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.74 114.15 26.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 0.0 110.663 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.95 128.65 38.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.821 0.343 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.34 28.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.243 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . 0.421 ' HB2' HG21 ' B' ' 68' ' ' THR . 6.1 t 66.18 -165.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.467 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 51.92 86.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.712 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 45.7 t -141.59 134.61 29.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.57 131.01 10.44 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -127.7 127.32 43.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.588 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 48.4 t -147.85 146.02 28.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.505 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.97 -171.48 2.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.683 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.99 159.13 35.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -127.17 130.08 49.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.68 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -127.05 149.2 50.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.526 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.48 -52.32 1.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.02 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.78 132.49 38.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.472 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 109.95 77.36 0.94 Allowed Glycine 0 C--O 1.222 -0.613 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.679 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . 0.521 ' HD2' ' HH ' ' C' ' 55' ' ' TYR . 68.5 m-85 26.18 70.83 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.17 93.96 0.24 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.19 94.54 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.841 0.353 . . . . 0.0 110.144 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.72 149.44 16.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.551 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -125.85 138.44 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . 0.521 ' HH ' ' HD2' ' C' ' 50' ' ' TYR . 89.6 m-85 -129.56 143.78 50.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.75 137.87 20.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.395 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 97.7 p -156.14 160.82 40.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.61 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.42 148.63 52.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.529 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.46 -152.1 49.07 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.88 139.62 56.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 0.0 110.657 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 12.3 p -179.79 116.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.523 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.57 118.77 21.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.446 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -100.83 100.47 11.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -115.0 128.88 56.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.368 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.44 -166.48 1.15 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.4 -54.79 19.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.612 0.244 . . . . 0.0 111.037 -179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.74 -106.31 1.36 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.421 HG21 ' HB2' ' C' ' 96' ' ' SER . 45.0 p -108.07 107.61 18.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 110.204 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -148.0 135.03 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.572 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.91 135.94 49.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.426 ' OG1' ' C ' ' B' ' 71' ' ' THR . 36.7 p -74.05 166.68 42.42 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.26 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . 0.407 ' N ' ' OG1' ' D' ' 71' ' ' THR . 43.8 Cg_endo -89.08 103.2 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 122.705 2.27 . . . . 0.0 114.494 -175.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.05 120.2 6.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.537 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.08 -87.68 0.27 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.97 86.8 2.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.171 0.51 . . . . 0.0 110.583 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.06 105.15 3.02 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.55 122.24 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.842 0.353 . . . . 0.0 111.077 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m -110.29 110.26 21.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.333 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.59 90.75 0.63 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.388 -1.085 . . . . 0.0 110.388 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.82 123.46 0.69 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -93.91 -41.38 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.27 -67.5 1.2 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 -179.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 45.3 t -148.45 112.96 5.32 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 84.73 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.366 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.91 118.16 24.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.376 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 96.6 p -144.96 167.24 23.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 111.164 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.12 129.74 25.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.993 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.12 173.11 16.91 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.307 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 97.8 p -166.76 157.7 12.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.646 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -163.94 175.18 10.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.621 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.85 77.34 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.161 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.52 50.17 0.11 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.75 114.17 26.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.676 0.274 . . . . 0.0 110.665 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.97 128.64 38.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.33 119.35 29.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.253 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . 0.421 ' HB2' HG21 ' C' ' 68' ' ' THR . 6.1 t 66.13 -165.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.625 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 22.1 t80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.452 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 51.91 86.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.701 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 45.6 t -141.59 134.65 29.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.563 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.53 130.94 10.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -127.77 127.39 43.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.471 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 48.4 t -147.82 146.01 28.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.91 -171.47 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.724 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.05 159.14 35.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -127.3 130.12 48.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.71 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.07 149.16 50.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.494 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.51 -52.41 1.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.937 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.56 132.71 39.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 109.79 77.45 0.95 Allowed Glycine 0 C--O 1.223 -0.567 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.689 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' D' ' 49' ' ' GLY . 69.4 m-85 26.11 70.85 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 178.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.17 93.96 0.24 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.27 94.46 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.842 0.353 . . . . 0.0 110.12 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.63 149.5 16.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.91 138.43 53.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.466 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -129.6 143.7 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.724 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 47.1 t -149.64 137.87 20.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.448 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.12 160.74 40.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.603 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -132.38 148.65 52.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.51 -151.98 48.84 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -68.11 139.65 56.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.639 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.73 116.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.609 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.44 118.83 20.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.486 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.9 100.38 11.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -115.12 128.75 56.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.448 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.26 -166.52 1.1 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.39 -54.68 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.583 0.23 . . . . 0.0 111.069 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.64 -106.24 1.36 Allowed Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . 0.422 HG21 ' HB2' ' D' ' 96' ' ' SER . 45.0 p -108.12 107.56 18.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.746 0.307 . . . . 0.0 110.317 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -147.97 135.01 20.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.709 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 66.4 m -109.89 136.06 49.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . 0.427 ' C ' ' OG1' ' E' ' 71' ' ' THR . 36.5 p -74.13 166.79 41.52 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.201 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . 0.421 ' HB3' ' C ' ' E' ' 72' ' ' PRO . 43.2 Cg_endo -89.25 103.19 0.37 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.762 2.308 . . . . 0.0 114.529 -175.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.91 120.03 6.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.628 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.02 -87.62 0.27 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.86 86.77 2.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.133 0.492 . . . . 0.0 110.571 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -87.03 105.19 3.03 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.68 122.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.899 0.381 . . . . 0.0 111.066 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 87.1 m -110.07 110.21 21.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.508 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.75 90.81 0.63 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.74 123.55 0.7 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -94.0 -41.3 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.32 -67.39 1.24 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.5 112.98 5.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.901 0.381 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.31 84.74 2.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.92 118.12 24.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.354 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 97.3 p -144.93 167.21 23.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.921 0.391 . . . . 0.0 111.222 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.15 129.63 25.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.969 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.06 173.06 17.02 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.32 -179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.67 157.79 12.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.636 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -163.96 175.16 10.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.629 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.83 77.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.64 50.16 0.11 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.74 114.17 26.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.652 0.263 . . . . 0.0 110.651 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.98 128.58 38.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.919 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.39 29.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.21 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . 0.422 ' HB2' HG21 ' D' ' 68' ' ' THR . 6.1 t 66.14 -165.76 0.22 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.598 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.366 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 51.71 86.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 45.6 t -141.75 134.38 28.42 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.484 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.4 130.77 10.33 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -127.64 127.42 43.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.809 0.338 . . . . 0.0 110.62 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 48.4 t -147.85 145.98 28.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.548 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.96 -171.52 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.694 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 83.5 p -70.93 159.16 35.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 94.5 m -127.37 130.28 49.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.628 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -126.96 149.25 49.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.536 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . 0.423 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -123.23 -50.25 1.91 Allowed 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 119.458 -0.897 . . . . 0.0 111.994 177.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . 0.423 ' N ' HG22 ' E' ' 47' ' ' THR . 43.3 t -131.31 131.17 43.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.8 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.76 71.98 0.63 Allowed Glycine 0 C--O 1.218 -0.885 0 C-N-CA 118.385 -1.864 . . . . 0.0 112.818 178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' E' ' 49' ' ' GLY . 69.9 m-85 25.83 75.69 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.241 0.617 . . . . 0.0 111.128 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.09 92.04 0.29 Allowed Glycine 0 CA--C 1.517 0.167 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.98 94.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.39 . . . . 0.0 110.081 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.7 149.54 16.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.507 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.81 138.5 53.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.532 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -129.6 143.77 50.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.383 . . . . 0.0 110.766 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -149.67 137.86 20.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.45 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 96.1 p -156.15 160.8 40.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.565 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -132.41 148.64 52.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.601 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.44 -152.04 49.02 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.85 139.61 56.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.745 0.307 . . . . 0.0 110.672 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 12.5 p -179.77 116.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.579 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.57 118.61 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -100.62 100.21 10.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -115.0 128.75 56.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.291 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -63.92 -166.69 1.01 Allowed Glycine 0 CA--C 1.525 0.667 0 O-C-N 123.909 0.755 . . . . 0.0 111.512 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.26 -54.83 18.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.667 0.27 . . . . 0.0 111.089 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.22 -106.15 1.38 Allowed Glycine 0 N--CA 1.465 0.579 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . 0.417 HG21 ' HB2' ' E' ' 96' ' ' SER . 45.6 p -108.09 107.3 17.9 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.79 135.67 21.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.419 0.628 . . . . 0.0 110.54 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -110.67 136.53 49.62 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . 0.434 ' C ' ' OG1' ' F' ' 71' ' ' THR . 37.8 p -74.29 166.83 41.39 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.335 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . 0.421 ' C ' ' HB3' ' D' ' 72' ' ' PRO . 53.0 Cg_endo -90.49 107.89 0.34 Allowed 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.271 1.314 . . . . 0.0 113.285 -176.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -57.7 120.43 8.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.432 179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 132.79 -87.26 0.27 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -128.88 85.13 2.29 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.015 0.436 . . . . 0.0 110.964 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.42 103.56 2.73 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.3 122.01 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.991 0.424 . . . . 0.0 111.076 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 85.5 m -109.75 110.24 21.19 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.088 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.08 90.81 0.64 Allowed Glycine 0 CA--C 1.541 1.693 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 169.55 121.59 0.58 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -90.28 -45.85 8.79 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.498 -0.351 . . . . 0.0 111.762 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -43.33 -67.52 0.97 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 45.3 t -148.42 112.96 5.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.06 84.26 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.197 0.936 . . . . 0.0 110.706 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.63 117.33 23.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.399 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 96.8 p -144.57 167.0 23.57 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.16 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 43.2 t -139.0 129.65 26.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.02 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.11 173.09 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.304 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 97.2 p -166.48 157.36 12.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.7 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 48.1 t -162.88 175.69 10.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.759 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.78 76.89 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.207 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.48 49.97 0.11 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -96.29 113.94 25.58 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.959 -0.141 . . . . 0.0 110.986 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.96 128.75 39.1 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.03 119.31 29.16 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.754 0.659 . . . . 0.0 109.991 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . 0.417 ' HB2' HG21 ' E' ' 68' ' ' THR . 6.0 t 66.27 -165.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.738 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.44 -179.923 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 51.99 86.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.789 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 45.8 t -141.57 134.65 29.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.561 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.61 131.04 10.45 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -127.78 127.43 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.507 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 48.3 t -147.89 146.02 28.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.99 -171.48 2.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.672 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 83.4 p -70.99 159.17 35.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 94.3 m -127.36 130.16 48.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.646 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.06 149.1 50.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.55 -52.23 1.93 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.031 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -134.67 132.51 39.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.438 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 109.85 77.64 0.96 Allowed Glycine 0 C--O 1.222 -0.628 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.695 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . 0.514 ' HD2' ' HH ' ' F' ' 55' ' ' TYR . 69.2 m-85 25.76 70.94 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 178.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.2 93.91 0.24 Allowed Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 67.26 94.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 110.159 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -160.71 149.46 16.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.587 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.86 138.35 53.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.566 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . 0.514 ' HH ' ' HD2' ' F' ' 50' ' ' TYR . 89.5 m-85 -129.43 143.71 50.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.69 137.92 20.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.418 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.2 160.75 40.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.555 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -132.34 148.59 52.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.53 -152.03 48.86 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.88 139.62 56.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.773 0.321 . . . . 0.0 110.637 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.82 116.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.606 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.5 118.83 21.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.91 100.43 11.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -114.99 128.99 56.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.54 -166.37 1.16 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -54.97 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.668 0.27 . . . . 0.0 110.999 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.93 -106.43 1.36 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . 0.417 HG21 ' HB2' ' F' ' 96' ' ' SER . 45.2 p -107.98 107.66 18.45 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -148.06 135.09 20.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.596 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 66.7 m -110.06 136.03 49.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . 0.434 ' OG1' ' C ' ' E' ' 71' ' ' THR . 36.9 p -74.1 166.77 41.73 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.246 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . 0.407 ' C ' ' HB3' ' E' ' 72' ' ' PRO . 44.1 Cg_endo -89.22 103.18 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.706 2.271 . . . . 0.0 114.459 -175.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.93 120.1 6.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.518 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.06 -87.86 0.27 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.53 86.6 2.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.12 0.486 . . . . 0.0 110.613 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.96 105.11 3.01 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.48 122.22 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.929 0.395 . . . . 0.0 111.056 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 86.8 m -110.17 110.23 21.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.369 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.63 90.82 0.63 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.79 123.45 0.69 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -93.93 -41.34 9.65 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.21 -67.52 1.19 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.4 112.95 5.33 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.3 84.75 2.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.295 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -125.94 118.13 24.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.353 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 96.6 p -145.02 167.2 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 111.182 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 43.4 t -139.04 129.61 25.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.123 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.05 173.09 16.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.37 . . . . 0.0 111.362 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 97.1 p -166.7 157.76 12.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.636 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.91 175.3 10.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.641 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.92 77.45 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.62 50.19 0.11 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -97.75 114.17 26.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.749 0.309 . . . . 0.0 110.651 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.95 128.56 38.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.25 119.3 28.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.268 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . 0.417 ' HB2' HG21 ' F' ' 68' ' ' THR . 6.1 t 66.11 -165.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.442 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 51.85 86.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.684 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 45.6 t -141.57 134.54 28.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.615 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.53 131.01 10.44 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -127.68 127.4 43.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.801 0.334 . . . . 0.0 110.616 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 48.3 t -147.89 145.92 28.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.521 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.92 -171.49 2.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.672 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.01 159.17 35.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 94.2 m -127.2 130.14 49.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.703 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -127.15 149.15 50.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.506 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.41 -52.33 1.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.056 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 48.5 t -134.75 132.49 38.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.471 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 109.9 77.4 0.94 Allowed Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.624 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . 0.512 ' HD2' ' HH ' ' G' ' 55' ' ' TYR . 68.5 m-85 26.16 70.88 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.21 93.97 0.25 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.19 94.47 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.803 0.335 . . . . 0.0 110.144 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.63 149.5 16.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.536 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -125.9 138.36 53.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.517 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . 0.512 ' HH ' ' HD2' ' G' ' 50' ' ' TYR . 89.4 m-85 -129.52 143.73 50.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.786 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 47.1 t -149.69 137.84 20.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.402 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 95.8 p -156.09 160.81 40.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.542 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.39 148.66 52.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.43 -151.98 48.96 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.97 139.61 56.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 110.56 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.75 116.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.527 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -78.53 118.79 21.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.489 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.82 100.44 11.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.58 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.7 m -115.0 128.88 56.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.371 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.42 -166.47 1.14 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -54.79 19.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.589 0.233 . . . . 0.0 111.021 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.74 -106.41 1.37 Allowed Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.751 -0.939 . . . . 0.0 110.751 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . 0.415 HG21 ' HB2' ' G' ' 96' ' ' SER . 45.3 p -108.03 107.59 18.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.718 0.294 . . . . 0.0 110.223 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.99 134.93 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.6 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.86 136.05 49.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.186 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . 0.428 ' OG1' ' C ' ' F' ' 71' ' ' THR . 35.6 p -74.01 166.76 41.72 Favored Pre-proline 0 CA--C 1.536 0.406 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.292 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . 0.404 ' C ' ' HB3' ' F' ' 72' ' ' PRO . 43.7 Cg_endo -89.22 103.18 0.38 Allowed 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.771 2.314 . . . . 0.0 114.43 -175.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.91 120.13 6.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.575 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.04 -87.53 0.27 Allowed Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -129.1 86.79 2.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.208 0.528 . . . . 0.0 110.551 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.99 105.06 3.01 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.65 122.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.901 0.381 . . . . 0.0 111.11 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 87.2 m -110.21 110.22 20.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.355 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.58 90.72 0.63 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.84 123.48 0.69 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -93.91 -41.5 9.58 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.18 -67.48 1.2 Allowed Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 45.1 t -148.47 112.93 5.31 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.3 84.82 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.332 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -125.96 118.09 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.383 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 97.0 p -144.95 167.19 23.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.99 0.424 . . . . 0.0 111.162 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -139.01 129.65 25.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.064 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.11 173.17 16.84 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.3 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -166.7 157.76 12.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.92 175.25 10.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.722 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.89 77.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.754 0.312 . . . . 0.0 111.095 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.65 50.18 0.11 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.86 114.16 26.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.672 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.91 128.61 38.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.34 119.43 29.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.173 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . 0.415 ' HB2' HG21 ' G' ' 68' ' ' THR . 6.1 t 66.1 -165.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.401 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 52.0 86.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.657 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 45.5 t -141.6 134.5 28.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.53 131.04 10.46 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -127.78 127.44 43.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.781 0.324 . . . . 0.0 110.531 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 48.4 t -147.84 145.94 28.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.91 -171.54 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.662 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 83.3 p -70.9 159.2 35.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -127.37 130.14 48.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.662 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -127.08 149.06 50.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.561 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.48 -52.28 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.05 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -134.72 132.47 38.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.503 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 109.97 77.32 0.93 Allowed Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.776 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . 0.522 ' HD2' ' HH ' ' H' ' 55' ' ' TYR . 69.2 m-85 26.22 70.82 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.25 94.05 0.25 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 67.21 94.43 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.173 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.64 149.41 16.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.618 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -125.83 138.38 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.583 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . 0.522 ' HH ' ' HD2' ' H' ' 50' ' ' TYR . 89.7 m-85 -129.46 143.73 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 47.0 t -149.73 137.92 20.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.408 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 96.4 p -156.16 160.78 40.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.628 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -132.38 148.69 52.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.548 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.37 -152.01 49.09 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.98 139.62 56.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.337 . . . . 0.0 110.643 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.75 116.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.52 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.48 118.72 20.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.582 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.81 100.37 11.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.2 m -115.04 128.9 56.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.36 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.43 -166.4 1.13 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -54.9 18.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.623 0.249 . . . . 0.0 111.039 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.91 -106.33 1.35 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . 0.41 HG21 ' HB2' ' H' ' 96' ' ' SER . 45.6 p -108.03 107.54 18.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -147.98 135.0 20.27 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.572 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 66.1 m -109.88 136.1 49.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . 0.428 ' OG1' ' C ' ' G' ' 71' ' ' THR . 36.9 p -74.12 166.88 40.74 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.252 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . 0.402 ' C ' ' HB3' ' G' ' 72' ' ' PRO . 44.1 Cg_endo -89.25 103.09 0.37 Allowed 'Trans proline' 0 C--N 1.315 -1.204 0 C-N-CA 122.809 2.339 . . . . 0.0 114.418 -175.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -54.9 120.11 6.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.579 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.09 -87.65 0.27 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.77 86.66 2.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.084 0.468 . . . . 0.0 110.598 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.93 105.24 3.02 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.47 122.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.931 0.396 . . . . 0.0 111.147 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 87.3 m -110.09 110.29 21.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.378 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.67 90.9 0.63 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.78 123.53 0.7 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -94.08 -41.35 9.58 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.32 -67.43 1.23 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.768 -0.533 . . . . 0.0 111.768 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 45.2 t -148.42 112.92 5.32 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.958 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.24 84.71 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.344 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -125.91 118.08 24.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.468 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 96.7 p -144.95 167.21 23.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.981 0.419 . . . . 0.0 111.218 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 43.1 t -139.09 129.63 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.026 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.09 173.06 17.01 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.289 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 97.6 p -166.69 157.71 12.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.627 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t -163.95 175.08 10.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.721 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.74 77.82 0.06 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.88 50.25 0.11 Allowed Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.414 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -97.81 114.08 26.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.838 0.352 . . . . 0.0 110.675 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.88 128.62 38.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.35 119.27 28.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.241 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . 0.41 ' HB2' HG21 ' H' ' 68' ' ' THR . 6.1 t 66.16 -165.9 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.567 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.428 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 51.9 86.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 45.8 t -141.53 134.65 29.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.66 131.06 10.46 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -127.59 127.59 44.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.699 0.285 . . . . 0.0 110.558 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 48.2 t -147.97 145.97 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.543 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -171.51 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.674 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 83.7 p -71.05 159.29 35.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.9 m -127.49 130.02 48.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.683 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -127.31 148.27 50.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.626 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . 0.4 HG22 ' N ' ' I' ' 48' ' ' SER . 1.0 OUTLIER -121.96 -52.82 1.97 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.992 179.784 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . 0.4 ' N ' HG22 ' I' ' 47' ' ' THR . 48.1 t -134.17 132.71 40.11 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.482 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 109.97 77.38 0.94 Allowed Glycine 0 C--O 1.223 -0.541 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.635 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . 0.524 ' HD2' ' HH ' ' I' ' 55' ' ' TYR . 68.2 m-85 25.94 72.26 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.28 93.98 0.31 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 67.22 93.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.837 0.351 . . . . 0.0 110.188 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -160.14 149.6 17.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -125.89 138.45 53.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.552 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . 0.524 ' HH ' ' HD2' ' I' ' 50' ' ' TYR . 89.7 m-85 -129.59 143.76 50.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.79 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 47.2 t -149.71 137.93 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.448 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 96.8 p -156.24 160.78 40.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.601 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -132.34 148.6 52.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.45 -152.01 48.96 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.94 139.63 56.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.79 0.328 . . . . 0.0 110.659 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p -179.77 116.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.571 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.53 118.7 20.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.543 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -100.83 100.45 11.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.614 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -114.86 129.13 56.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.67 -166.23 1.18 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.73 -54.59 22.09 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.308 -0.157 . . . . 0.0 111.01 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.81 -106.58 1.39 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . 0.408 HG21 ' HB2' ' I' ' 96' ' ' SER . 47.7 p -107.82 107.31 18.01 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -147.71 134.89 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 66.8 m -109.79 135.85 50.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 111.002 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . 0.416 ' OG1' ' C ' ' H' ' 71' ' ' THR . 41.8 p -73.21 168.07 28.5 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -89.6 103.61 0.35 Allowed 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 122.749 2.299 . . . . 0.0 114.341 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -55.21 120.57 7.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.632 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.16 -87.41 0.27 Allowed Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -128.64 86.4 2.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 110.478 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -86.56 105.56 3.02 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.47 122.54 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.808 0.337 . . . . 0.0 111.041 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 89.1 m -110.07 110.2 21.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.41 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.4 90.93 0.64 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.87 123.5 0.7 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -94.0 -41.49 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.615 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.09 -67.25 1.24 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.759 -0.536 . . . . 0.0 111.759 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -148.57 112.99 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.34 84.89 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.366 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -126.04 118.06 24.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.353 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 97.1 p -144.91 166.99 23.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.972 0.415 . . . . 0.0 111.132 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 43.3 t -138.78 129.68 26.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.043 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.22 172.75 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.938 0.399 . . . . 0.0 111.282 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 96.6 p -166.34 157.74 13.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.606 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -163.93 174.59 11.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.75 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -171.44 79.6 0.07 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.03 50.32 0.1 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 178.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -97.9 114.02 25.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.691 0.281 . . . . 0.0 110.602 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -131.98 128.68 38.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.43 119.4 29.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.218 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . 0.408 ' HB2' HG21 ' I' ' 68' ' ' THR . 6.0 t 66.18 -165.89 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.617 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 22.1 t80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.436 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.28 117.16 28.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.447 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -133.02 100.05 4.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.645 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.58 167.76 18.92 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 51.9 74.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.804 0.335 . . . . 0.0 110.656 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 89.2 p -91.03 13.22 17.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.832 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -130.38 -160.28 1.03 Allowed 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.594 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -96.47 152.92 18.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.044 0.45 . . . . 0.0 111.561 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.5 m -128.96 125.89 38.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.497 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.29 139.69 25.93 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.892 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -93.52 -41.94 9.5 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.316 -0.554 . . . . 0.0 111.421 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -134.86 171.91 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.598 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.92 69.63 1.37 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.806 -0.518 . . . . 0.0 111.806 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.528 ' HD2' ' HH ' ' A' ' 55' ' ' TYR . 69.5 m-85 26.62 72.24 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.17 91.75 0.3 Allowed Glycine 0 CA--C 1.522 0.476 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 68.1 93.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.834 0.35 . . . . 0.0 110.067 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -158.44 145.44 17.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.4 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -126.64 145.82 50.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.71 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.528 ' HH ' ' HD2' ' A' ' 50' ' ' TYR . 92.9 m-85 -131.23 143.43 50.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.398 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.45 136.78 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.739 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 t -156.76 144.8 19.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.488 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.22 132.76 56.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.617 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.47 133.52 4.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.32 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.772 0.32 . . . . 0.0 110.67 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.56 140.53 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.65 67.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.84 117.52 34.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.509 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -128.14 131.34 48.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.52 -162.28 0.6 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.36 -53.39 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.943 0.401 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.57 -99.93 1.28 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.6 p -111.22 104.61 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.404 . . . . 0.0 110.396 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -161.07 173.75 14.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.544 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.7 t -139.54 130.62 26.46 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.251 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.0 p -69.0 173.35 3.75 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -90.82 104.62 0.28 Allowed 'Trans proline' 0 N--CA 1.487 1.123 0 C-N-CA 122.388 2.059 . . . . 0.0 114.611 -176.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -59.95 133.28 55.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.184 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.99 -91.73 0.32 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.24 -58.78 2.09 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.15 -0.22 . . . . 0.0 110.819 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.17 107.7 0.01 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.87 95.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.3 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 57.9 m -88.35 106.35 18.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.142 0.496 . . . . 0.0 110.592 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.87 -149.96 15.28 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.246 -1.142 . . . . 0.0 110.246 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.24 72.68 0.44 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -48.35 168.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.674 0.274 . . . . 0.0 110.661 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.39 47.88 1.27 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 66.74 140.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.905 0.383 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.1 m -103.78 -65.63 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.443 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.35 78.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.688 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 66.4 m -157.57 162.93 38.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.975 0.416 . . . . 0.0 111.237 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.6 p -144.16 148.5 35.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.041 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.88 166.53 15.5 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.028 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.9 p -164.18 162.32 22.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.68 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -163.57 158.17 20.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.797 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -163.91 72.27 0.25 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.23 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.22 50.04 0.09 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.76 119.06 35.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.69 136.01 30.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.564 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.0 m -130.58 122.48 27.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.295 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t 53.61 57.41 6.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.548 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.22 117.21 28.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.458 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -133.11 99.96 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.678 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.52 167.66 18.89 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 51.99 74.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 110.648 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 89.4 p -91.05 13.1 17.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.42 -160.48 1.04 Allowed 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.569 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.27 152.86 18.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.119 0.485 . . . . 0.0 111.455 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 82.7 m -128.91 126.01 38.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.564 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.5 139.72 25.67 Favored 'General case' 0 C--O 1.22 -0.467 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.091 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.77 -41.89 9.42 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.381 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.5 t -134.71 172.74 12.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 110.542 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 74.18 70.74 1.2 Allowed Glycine 0 CA--C 1.524 0.607 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.716 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.529 ' HD2' ' HH ' ' B' ' 55' ' ' TYR . 68.1 m-85 25.37 72.78 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.6 91.73 0.33 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 109.952 -1.259 . . . . 0.0 109.952 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.21 93.8 0.07 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.912 0.387 . . . . 0.0 110.021 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -158.44 145.41 17.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.434 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 67.7 m -126.7 145.82 50.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.694 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . 0.529 ' HH ' ' HD2' ' B' ' 50' ' ' TYR . 92.9 m-85 -131.2 143.38 50.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.43 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -146.44 136.85 23.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.73 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -156.81 144.85 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.439 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.27 132.78 56.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.607 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.49 133.45 4.97 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.44 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.59 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 47.1 t -148.57 140.44 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.556 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.55 66.98 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.78 117.56 34.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.52 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 92.6 m -127.94 131.57 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.82 -162.15 0.64 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.58 -53.26 24.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.639 0.257 . . . . 0.0 110.734 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.7 -100.26 1.31 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 28.7 p -111.05 104.45 13.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.665 0.269 . . . . 0.0 110.434 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.86 174.04 14.45 Favored 'General case' 0 C--O 1.221 -0.435 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.415 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 45.4 t -139.67 130.61 26.23 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.177 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.27 173.66 3.62 Favored Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -91.14 102.35 0.25 Allowed 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 122.559 2.173 . . . . 0.0 115.159 -175.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.76 133.31 55.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.399 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.98 -91.77 0.32 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.82 -58.93 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.631 0.253 . . . . 0.0 110.811 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.32 108.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.74 95.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.878 0.37 . . . . 0.0 110.305 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 59.6 m -88.14 106.24 18.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.84 -149.23 14.7 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.02 72.77 0.42 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -48.41 168.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.33 48.1 1.25 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 66.91 141.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m -104.29 -65.56 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.343 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.42 77.95 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.717 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 65.6 m -157.53 162.92 38.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.027 0.441 . . . . 0.0 111.15 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 92.3 p -144.13 148.41 35.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.043 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.86 166.53 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.064 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.08 162.3 22.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.777 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 31.4 t -163.54 158.25 20.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.9 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.25 74.09 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.081 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.62 50.04 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.67 118.96 35.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.943 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.78 136.19 30.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.548 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.67 122.32 27.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.348 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.74 57.39 6.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.464 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.612 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.34 117.17 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -133.13 100.2 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.621 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.64 167.73 18.99 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 51.9 74.83 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.38 . . . . 0.0 110.66 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 89.3 p -91.09 13.21 17.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.779 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.42 -160.49 1.04 Allowed 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.639 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -96.25 152.78 18.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.09 0.471 . . . . 0.0 111.572 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 80.7 m -128.81 126.01 38.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.544 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.44 139.72 25.75 Favored 'General case' 0 C--O 1.22 -0.463 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.137 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.74 -41.93 9.41 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.443 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.75 172.74 12.54 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.548 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 74.15 70.82 1.19 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.66 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . 0.522 ' HD2' ' HH ' ' C' ' 55' ' ' TYR . 67.8 m-85 25.23 72.91 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.71 91.72 0.34 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.29 93.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.46 145.26 17.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.423 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -126.6 145.81 50.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.731 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . 0.522 ' HH ' ' HD2' ' C' ' 50' ' ' TYR . 92.7 m-85 -131.24 143.46 50.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.399 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.48 136.77 23.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.697 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -156.78 144.89 19.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.438 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.27 132.8 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.634 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.43 133.42 4.94 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.45 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.644 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 47.1 t -148.55 140.53 23.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.64 66.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.76 117.55 34.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.587 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 93.1 m -127.96 131.67 49.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.98 -162.14 0.67 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.5 -53.3 24.05 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.737 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.76 -100.27 1.31 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -111.08 104.51 13.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.678 0.275 . . . . 0.0 110.349 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.86 174.03 14.46 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.519 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.64 130.54 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.139 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.33 173.69 3.63 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -90.99 102.14 0.25 Allowed 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.707 2.272 . . . . 0.0 115.181 -175.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.62 133.35 55.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.401 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.0 -91.72 0.32 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -58.92 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.658 0.266 . . . . 0.0 110.791 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.4 108.05 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t 53.79 95.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.303 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 59.1 m -87.97 106.29 18.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.756 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.82 -149.45 14.91 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.12 72.85 0.41 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -48.48 168.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.69 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.36 48.05 1.25 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 66.97 141.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.37 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 22.7 m -104.37 -65.68 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.239 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.49 77.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 65.5 m -157.45 162.89 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.003 0.43 . . . . 0.0 111.148 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 92.1 p -144.02 148.55 35.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.058 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.93 166.49 15.41 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.164 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.16 162.22 22.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.775 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 31.2 t -163.48 158.21 20.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.873 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.22 74.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.126 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.51 50.08 0.08 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.73 118.83 35.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.779 0.323 . . . . 0.0 110.924 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.64 136.16 30.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.64 122.4 27.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.355 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.78 57.22 6.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.554 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.54 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.31 117.11 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -133.03 100.11 4.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.628 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.59 167.77 18.93 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 51.79 74.93 0.23 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.962 0.411 . . . . 0.0 110.697 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 89.3 p -91.15 13.22 17.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.826 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.46 -160.51 1.05 Allowed 'General case' 0 C--O 1.232 0.135 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.565 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 70.1 m -96.23 152.81 18.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.049 0.452 . . . . 0.0 111.53 -179.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 80.6 m -128.99 125.9 38.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.593 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.3 139.7 25.92 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.216 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -93.83 -41.86 9.41 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.344 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.86 172.72 12.59 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.562 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 74.18 70.86 1.18 Allowed Glycine 0 CA--C 1.525 0.713 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.671 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . 0.516 ' HD2' ' HH ' ' D' ' 55' ' ' TYR . 67.4 m-85 25.17 73.11 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.85 91.81 0.35 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.17 93.83 0.07 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.068 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.53 145.32 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.374 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 67.2 m -126.66 145.76 50.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.717 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . 0.516 ' HH ' ' HD2' ' D' ' 50' ' ' TYR . 92.9 m-85 -131.24 143.56 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.335 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.54 136.71 23.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.771 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -156.7 144.94 19.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.418 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.33 132.88 56.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.678 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.38 133.52 4.95 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.3 -174.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 110.623 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 47.0 t -148.48 140.54 23.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.59 66.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.639 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.76 117.57 34.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.6 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -128.04 131.6 49.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.64 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.85 -162.05 0.64 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.6 -53.17 25.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.682 0.277 . . . . 0.0 110.795 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.58 -100.17 1.31 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -111.04 104.43 12.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.641 0.258 . . . . 0.0 110.48 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.87 174.04 14.44 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.452 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.65 130.58 26.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 111.117 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 7.5 p -69.41 173.84 3.53 Favored Pre-proline 0 CA--C 1.542 0.648 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -91.2 102.19 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 122.629 2.219 . . . . 0.0 115.302 -175.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.55 133.25 55.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.449 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.98 -91.64 0.32 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -58.95 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.791 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.35 108.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 11.6 t 53.76 95.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.952 0.406 . . . . 0.0 110.291 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 59.0 m -87.95 106.1 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.89 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.87 -149.36 14.77 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.15 72.83 0.41 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -48.45 168.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.596 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.26 48.05 1.26 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 67.08 141.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 22.3 m -104.36 -65.65 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.278 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.42 77.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.635 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 66.0 m -157.53 162.91 38.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.919 0.39 . . . . 0.0 111.211 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 92.1 p -144.11 148.49 35.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.03 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.91 166.49 15.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.177 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p -164.12 162.21 22.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.742 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 31.8 t -163.51 158.08 20.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.26 74.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.085 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.38 50.08 0.08 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.71 118.93 35.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.75 136.06 30.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 43.2 m -130.61 122.34 27.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.379 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.75 57.25 6.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.559 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.54 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.581 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.35 116.85 28.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.436 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 43.8 t -132.69 99.7 4.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.35 167.72 18.69 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 51.83 74.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.927 0.394 . . . . 0.0 110.654 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 89.3 p -91.08 13.1 17.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.761 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.44 -160.59 1.05 Allowed 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.573 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.17 152.75 18.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.071 0.462 . . . . 0.0 111.554 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 82.0 m -128.95 126.22 39.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.572 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -146.82 140.26 25.64 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.245 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -95.26 -42.06 8.73 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.482 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 3.9 t -131.03 172.72 11.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.756 0.312 . . . . 0.0 111.3 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 75.0 70.76 1.22 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . 0.515 ' HD2' ' HH ' ' E' ' 55' ' ' TYR . 69.7 m-85 22.37 77.45 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 O-C-N 124.422 0.719 . . . . 0.0 111.667 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.66 90.38 0.47 Allowed Glycine 0 CA--C 1.518 0.22 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 68.68 94.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.951 0.405 . . . . 0.0 109.946 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.55 145.32 17.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.452 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 68.1 m -126.5 146.15 50.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.551 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . 0.515 ' HH ' ' HD2' ' E' ' 50' ' ' TYR . 93.0 m-85 -131.37 143.5 50.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.49 179.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.49 136.76 23.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.792 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 47.4 t -156.77 144.84 19.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.445 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.25 132.89 56.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.605 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.44 133.49 4.96 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.38 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.629 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.54 140.51 23.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.507 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.63 67.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.561 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -104.02 117.75 35.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.479 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 93.0 m -128.11 131.47 49.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.458 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.49 -162.24 0.59 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.42 -53.91 20.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.567 0.222 . . . . 0.0 110.628 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.13 -100.44 1.3 Allowed Glycine 0 N--CA 1.461 0.349 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 28.7 p -110.95 104.32 12.9 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.649 0.262 . . . . 0.0 110.418 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.79 174.01 14.53 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.378 -0.529 . . . . 0.0 111.455 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 45.3 t -139.64 130.59 26.25 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.136 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 7.8 p -69.36 173.81 3.54 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -92.64 107.67 0.21 Allowed 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 120.876 1.051 . . . . 0.0 113.903 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -60.4 133.18 55.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.247 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.97 -90.99 0.32 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.45 -57.83 2.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.29 109.84 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.331 -1.108 . . . . 0.0 110.331 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t 51.63 97.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.29 0.566 . . . . 0.0 110.086 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 59.5 m -88.8 106.27 18.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.685 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.2 14.7 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.18 72.51 0.46 Allowed Glycine 0 N--CA 1.459 0.216 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -48.91 168.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.402 . . . . 0.0 110.492 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.42 49.0 1.15 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 66.22 142.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.351 0.596 . . . . 0.0 111.023 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m -104.24 -66.14 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.48 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.67 78.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.66 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 66.0 m -157.6 162.89 38.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.948 0.404 . . . . 0.0 111.208 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 92.4 p -144.07 148.49 35.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.149 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.96 166.5 15.35 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.191 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 97.0 p -163.8 162.25 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.728 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 31.5 t -162.8 158.45 22.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -163.94 74.11 0.3 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.303 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.98 50.09 0.08 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.36 118.62 33.28 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.943 -0.151 . . . . 0.0 111.076 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.65 136.22 30.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.682 0.277 . . . . 0.0 110.599 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 43.1 m -130.42 122.21 27.33 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.098 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 16.0 t 53.8 57.44 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.569 0.543 . . . . 0.0 110.556 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.596 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.31 117.07 28.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.459 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 43.1 t -133.05 100.05 4.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.655 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.5 167.73 18.84 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 51.9 74.83 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.373 . . . . 0.0 110.734 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 89.3 p -91.12 13.18 17.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.48 -160.46 1.04 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.632 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 70.6 m -96.22 152.87 18.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.079 0.466 . . . . 0.0 111.49 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 82.2 m -128.96 126.12 38.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.513 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.5 139.67 25.63 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 120.579 -0.449 . . . . 0.0 111.226 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.62 -42.0 9.43 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.397 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.66 172.98 12.19 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.559 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 73.86 71.09 1.15 Allowed Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.727 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . 0.506 ' HD2' ' HH ' ' F' ' 55' ' ' TYR . 66.7 m-85 24.84 73.07 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.79 91.77 0.35 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 68.21 93.75 0.07 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -158.4 145.34 17.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -126.6 145.84 50.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.697 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . 0.506 ' HH ' ' HD2' ' F' ' 50' ' ' TYR . 92.9 m-85 -131.29 143.46 50.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.388 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.5 136.83 23.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.692 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -156.77 144.92 19.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.378 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.24 132.8 56.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.639 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.5 133.57 5.02 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.34 -174.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.644 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.5 140.55 23.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.526 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.63 66.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.564 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.82 117.62 34.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.503 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 93.4 m -128.05 131.66 49.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.487 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.92 -162.02 0.65 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.62 -53.32 24.77 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.755 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.7 -100.24 1.31 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -110.97 104.65 13.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.646 0.26 . . . . 0.0 110.46 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.97 174.09 14.31 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.306 -0.558 . . . . 0.0 111.467 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.71 130.57 26.11 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.074 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.36 173.61 3.72 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -91.03 102.14 0.25 Allowed 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.608 2.205 . . . . 0.0 115.268 -175.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.45 133.36 55.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.409 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.93 -91.79 0.32 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.6 -59.01 2.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.699 0.285 . . . . 0.0 110.778 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.42 108.16 0.01 OUTLIER Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.55 95.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.341 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 59.4 m -88.09 106.32 18.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.81 -149.4 14.88 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.211 -1.156 . . . . 0.0 110.211 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.1 72.93 0.4 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -48.5 168.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.378 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.35 48.07 1.25 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.7 t 67.08 141.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 22.6 m -104.42 -65.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.25 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.48 77.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.706 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 65.9 m -157.54 162.93 38.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.986 0.422 . . . . 0.0 111.186 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 92.3 p -144.07 148.37 35.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.107 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.78 166.57 15.67 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.734 -0.387 . . . . 0.0 111.116 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 97.5 p -164.23 162.24 22.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.672 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 31.7 t -163.45 158.19 20.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.18 74.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.057 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.43 50.07 0.08 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.66 118.87 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.7 136.07 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 43.3 m -130.63 122.41 27.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.361 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.69 57.31 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.55 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.619 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -117.3 117.13 28.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.452 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 43.2 t -133.1 100.02 4.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.691 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.48 167.73 18.83 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 51.9 74.92 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.866 0.365 . . . . 0.0 110.716 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 89.1 p -91.22 13.23 17.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.782 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.5 -160.61 1.05 Allowed 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.559 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 70.0 m -96.07 152.82 18.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.128 0.489 . . . . 0.0 111.52 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 81.2 m -128.93 125.92 38.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.544 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.37 139.68 25.81 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.167 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.74 -41.99 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.384 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.7 172.67 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.905 0.383 . . . . 0.0 110.577 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 74.16 70.92 1.17 Allowed Glycine 0 CA--C 1.525 0.657 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.689 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . 0.504 ' HD2' ' HH ' ' G' ' 55' ' ' TYR . 67.9 m-85 25.1 73.02 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.69 91.78 0.34 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.14 93.77 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 110.063 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 47.7 t -158.42 145.31 17.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.411 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -126.58 145.9 50.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.696 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . 0.504 ' HH ' ' HD2' ' G' ' 50' ' ' TYR . 92.9 m-85 -131.32 143.34 50.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.386 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.43 136.8 23.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.708 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 47.5 t -156.77 144.88 19.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.443 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.21 132.81 56.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.664 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.35 133.48 4.92 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 51.43 -174.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.313 . . . . 0.0 110.66 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.45 140.55 24.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -170.65 67.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.607 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -103.85 117.6 34.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.555 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 93.3 m -128.0 131.62 49.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.87 -162.02 0.64 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.6 -53.34 24.47 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.714 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.69 -100.24 1.31 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 28.8 p -111.0 104.46 13.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.663 0.268 . . . . 0.0 110.458 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.82 174.15 14.31 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.54 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.76 130.57 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.065 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.31 173.72 3.59 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -91.09 102.06 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.441 0 C-N-CA 122.639 2.226 . . . . 0.0 115.224 -175.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.44 133.33 55.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.485 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.0 -91.74 0.32 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.87 -58.94 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.769 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.42 108.17 0.01 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t 53.62 95.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.377 . . . . 0.0 110.369 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 58.9 m -87.94 106.27 18.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.805 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.79 -149.39 14.89 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.14 72.82 0.41 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -48.45 168.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 110.619 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.37 48.0 1.25 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 67.09 141.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 21.9 m -104.3 -65.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.34 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.46 77.97 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.716 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 65.6 m -157.5 162.92 38.88 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.202 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 92.2 p -144.11 148.4 35.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.055 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.82 166.52 15.62 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.119 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 97.6 p -164.16 162.31 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.719 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 31.6 t -163.46 158.16 20.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.27 74.47 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.011 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.44 50.01 0.08 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.65 118.84 35.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.66 136.03 30.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.598 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -130.57 122.47 27.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.347 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 16.1 t 53.62 57.34 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.604 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.593 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.32 117.12 28.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 43.4 t -133.03 100.05 4.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.687 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.58 167.69 18.94 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 51.91 74.92 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.644 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 89.2 p -91.14 13.09 17.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.743 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.45 -160.62 1.05 Allowed 'General case' 0 N--CA 1.456 -0.129 0 CA-C-O 120.741 0.305 . . . . 0.0 110.524 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.15 152.85 18.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.066 0.46 . . . . 0.0 111.492 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 81.6 m -128.91 126.0 38.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.605 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -146.43 139.61 25.69 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.272 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -93.8 -41.78 9.47 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.425 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.82 172.68 12.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.941 0.401 . . . . 0.0 110.436 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 74.14 70.98 1.17 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.674 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . 0.511 ' HD2' ' HH ' ' H' ' 55' ' ' TYR . 67.8 m-85 25.16 72.92 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.76 91.7 0.34 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.22 93.64 0.07 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.918 0.389 . . . . 0.0 110.115 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -158.37 145.41 17.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.37 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 67.9 m -126.7 145.88 50.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.672 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . 0.511 ' HH ' ' HD2' ' H' ' 50' ' ' TYR . 92.9 m-85 -131.22 143.42 50.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 48.0 t -146.43 136.84 23.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.726 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 47.6 t -156.81 144.88 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.429 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -117.2 132.84 56.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.649 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.43 133.41 4.93 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.43 -174.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.854 0.359 . . . . 0.0 110.608 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 47.2 t -148.52 140.51 23.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -170.58 67.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.581 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.89 117.56 34.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.505 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 93.5 m -127.99 131.68 49.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.93 -162.02 0.65 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.58 -53.44 23.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.612 0.244 . . . . 0.0 110.674 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.76 -100.25 1.3 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -111.03 104.52 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.638 0.256 . . . . 0.0 110.433 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.87 174.09 14.37 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.431 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.73 130.6 26.11 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.068 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 7.4 p -69.34 173.73 3.59 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -91.05 102.11 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.604 2.203 . . . . 0.0 115.193 -175.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -57.51 133.36 55.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.405 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 128.99 -91.8 0.32 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 -58.99 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 110.817 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.36 108.25 0.01 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.62 95.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.247 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 59.5 m -87.97 106.23 17.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.809 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.77 -149.32 14.86 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.197 -1.161 . . . . 0.0 110.197 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.05 72.91 0.4 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -48.46 168.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.651 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.32 48.06 1.25 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.8 t 67.07 141.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.907 0.384 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 22.0 m -104.41 -65.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.256 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 58.5 77.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.781 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 65.4 m -157.48 162.97 38.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.973 0.416 . . . . 0.0 111.256 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 92.7 p -144.13 148.4 35.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.076 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.84 166.51 15.59 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.125 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 97.0 p -164.08 162.29 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.678 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 31.3 t -163.48 158.27 20.73 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -164.36 74.71 0.29 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.25 50.03 0.08 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -97.68 118.81 35.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.745 0.307 . . . . 0.0 110.933 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -141.69 136.1 30.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 43.7 m -130.63 122.44 27.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.382 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t 53.69 57.38 6.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.51 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.582 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -117.29 117.19 28.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.472 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 43.4 t -133.07 100.27 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.671 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.73 167.69 19.1 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 51.79 74.82 0.24 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.972 0.415 . . . . 0.0 110.694 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 89.4 p -91.09 13.05 17.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.707 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -130.28 -160.69 1.06 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.641 0.258 . . . . 0.0 110.562 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -96.22 152.67 18.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.036 0.446 . . . . 0.0 111.507 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 75.4 m -128.85 126.23 39.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.642 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -146.58 140.41 26.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.5 t -94.74 -42.29 8.82 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.496 -0.481 . . . . 0.0 111.19 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -134.52 172.79 12.43 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.585 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 74.27 70.88 1.18 Allowed Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.711 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . 0.508 ' HD2' ' HH ' ' I' ' 55' ' ' TYR . 66.7 m-85 25.15 74.15 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.8 91.65 0.43 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 68.28 92.97 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.823 0.344 . . . . 0.0 110.089 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.8 t -157.78 145.51 18.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.438 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -126.71 145.86 50.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.707 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . 0.508 ' HH ' ' HD2' ' I' ' 50' ' ' TYR . 92.9 m-85 -131.22 143.54 50.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.375 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 48.1 t -146.54 136.77 23.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.712 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -156.8 144.84 19.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.41 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -117.24 132.9 56.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.44 133.45 4.95 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 51.35 -174.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.608 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 47.3 t -148.52 140.42 23.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.484 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -170.45 67.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.541 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -104.04 117.61 34.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.525 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 94.0 m -127.89 131.89 49.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.22 -161.87 0.73 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -49.79 -53.35 25.72 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.83 -100.32 1.31 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 29.5 p -110.92 104.37 12.96 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -160.82 174.03 14.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.047 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 45.1 t -139.65 130.93 26.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.912 0.387 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 8.3 p -69.08 174.27 2.96 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -91.01 102.69 0.26 Allowed 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.617 2.211 . . . . 0.0 114.961 -176.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -58.02 133.71 55.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.435 178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 129.14 -91.66 0.32 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.44 -59.24 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.038 0.447 . . . . 0.0 110.734 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.7 108.51 0.01 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t 53.52 95.71 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.858 0.361 . . . . 0.0 110.365 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 60.6 m -87.6 105.75 17.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.815 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -107.38 -149.11 15.12 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.08 73.21 0.37 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -48.77 168.86 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.144 0.497 . . . . 0.0 110.512 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.28 48.27 1.24 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.9 t 66.86 141.75 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.957 0.408 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 22.6 m -104.52 -65.57 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.295 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 58.38 77.93 0.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 65.7 m -157.48 162.84 38.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.929 0.395 . . . . 0.0 111.21 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 92.2 p -143.99 148.42 35.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.133 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.95 166.24 15.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.131 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 96.5 p -163.79 162.2 23.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -163.41 158.14 20.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.018 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -164.4 76.47 0.33 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.889 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.07 50.03 0.07 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -97.65 118.7 34.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.84 0.353 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -141.66 136.12 30.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 42.3 m -130.66 122.43 27.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.4 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t 53.69 57.33 6.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.462 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.549 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -107.56 96.52 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.555 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.9 t -73.56 141.95 46.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.55 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.08 -105.39 2.01 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.36 128.29 55.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.953 0.406 . . . . 0.0 110.506 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.5 m -133.61 153.05 51.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.547 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -110.99 -167.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.641 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.02 160.34 32.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.758 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -127.02 129.47 48.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.683 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -125.61 146.62 49.62 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.58 -53.25 2.11 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.308 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.3 t -135.52 130.2 34.25 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.8 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.81 75.52 0.84 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.378 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 32.05 70.38 0.1 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.63 96.2 0.49 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 68.43 84.22 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.879 0.371 . . . . 0.0 110.258 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -160.93 144.21 13.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.469 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -142.92 125.84 16.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.535 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -63.19 -46.92 84.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.538 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.34 42.02 13.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.787 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.23 127.14 54.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.922 0.392 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -62.61 -39.6 94.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.621 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.8 10.09 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -155.37 131.91 10.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.759 0.314 . . . . 0.0 110.399 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.6 m -130.65 148.07 52.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 49.49 63.47 2.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.629 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -89.96 113.35 24.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.71 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -117.03 130.64 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.535 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.63 -162.2 0.92 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -61.68 1.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 111.034 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.1 -96.57 0.71 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.2 p -117.43 109.13 16.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.111 0.482 . . . . 0.0 110.303 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -151.55 137.41 18.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.761 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -108.91 133.22 53.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.995 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.3 p -72.82 165.23 54.15 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.747 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.4 ' N ' ' OG1' ' B' ' 71' ' ' THR . 40.8 Cg_endo -90.11 105.97 0.35 Allowed 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.77 2.313 . . . . 0.0 114.268 -176.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -57.15 139.69 51.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.281 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.89 87.41 1.14 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 60.91 81.95 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.238 0.542 . . . . 0.0 111.316 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.42 -88.51 0.01 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.5 p -138.24 132.13 31.29 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.405 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.04 96.65 2.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.03 102.55 0.13 Allowed Glycine 0 CA--C 1.522 0.528 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.57 94.26 0.09 OUTLIER Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -80.72 -72.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.034 0.445 . . . . 0.0 110.416 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.68 -58.33 2.28 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -160.39 137.46 9.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.896 0.379 . . . . 0.0 110.671 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.3 t -139.57 98.13 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.298 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.88 104.3 9.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -146.85 163.67 35.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 111.211 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.68 150.59 48.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.263 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.75 1.77 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.029 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.0 p -170.46 158.37 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.485 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.3 m -163.38 173.71 12.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.5 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.37 78.65 0.07 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.392 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.1 49.77 0.12 Allowed Glycine 0 CA--C 1.528 0.85 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.628 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -98.03 113.36 25.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.811 0.338 . . . . 0.0 110.706 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -131.22 126.44 35.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.745 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.54 107.93 11.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.41 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.15 25.96 10.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.657 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -107.61 96.56 6.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.542 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 41.8 t -73.62 142.04 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.481 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.07 -105.33 2.0 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -111.24 128.5 55.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.794 0.33 . . . . 0.0 110.476 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 42.3 m -133.76 153.04 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.612 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.89 -167.2 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.657 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 87.1 p -73.2 160.33 32.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.6 m -127.06 129.26 47.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.709 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -125.25 146.3 49.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.84 -53.19 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.204 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -135.12 130.71 35.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 -179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.94 77.96 1.02 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.059 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 29.58 71.0 0.07 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.09 96.24 0.53 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 68.59 83.95 0.15 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.885 0.374 . . . . 0.0 110.213 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 48.0 t -160.78 144.19 13.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.527 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.2 t -143.03 125.85 16.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.458 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.24 -46.92 84.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.522 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.37 41.94 13.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.801 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.14 126.75 53.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -62.32 -39.54 93.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.684 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.81 132.83 10.1 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.33 131.98 10.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.702 0.287 . . . . 0.0 110.396 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 62.2 m -130.76 148.02 52.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.649 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.53 63.48 2.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.13 113.39 25.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.682 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -116.82 130.67 56.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.604 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.9 -162.14 1.01 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -61.79 1.86 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.698 0.285 . . . . 0.0 110.945 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.4 -96.79 0.71 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.32 109.05 16.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.794 0.331 . . . . 0.0 110.199 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -151.5 136.61 17.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 74.5 m -107.92 133.13 52.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.024 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.418 ' C ' ' OG1' ' C' ' 71' ' ' THR . 29.9 p -73.2 166.1 46.75 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.551 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.405 ' N ' ' OG1' ' C' ' 71' ' ' THR . 39.6 Cg_endo -90.77 104.29 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 122.967 2.445 . . . . 0.0 114.863 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.36 139.64 42.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.522 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.94 87.44 1.15 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 61.32 82.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.358 . . . . 0.0 111.213 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.53 -88.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 38.1 p -138.08 132.18 31.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 0.0 110.315 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.87 96.13 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.091 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.92 102.91 0.13 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.69 94.09 0.09 OUTLIER Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.14 -72.09 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.761 0.315 . . . . 0.0 110.434 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.69 -58.24 2.3 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.31 137.55 9.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 110.679 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.63 98.12 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.347 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -120.81 103.44 9.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.523 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.98 163.96 33.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.299 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 92.8 p -136.76 150.47 48.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.249 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.77 176.79 1.8 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 111.118 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 94.0 p -170.49 158.25 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.494 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 58.4 m -163.21 173.74 13.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.702 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.52 80.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.234 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.08 49.91 0.1 Allowed Glycine 0 CA--C 1.528 0.849 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.599 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.08 113.23 25.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.816 0.341 . . . . 0.0 110.754 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -131.22 126.46 35.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.774 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.46 107.92 11.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.47 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.19 25.86 10.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.733 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.601 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -107.6 96.41 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.55 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 42.1 t -73.5 142.04 46.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.55 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.09 -105.42 2.01 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -111.27 128.49 55.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.471 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 42.5 m -133.68 152.96 52.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.551 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.89 -167.21 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.571 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.15 160.27 32.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.963 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.0 129.29 47.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.662 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.31 146.25 49.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.387 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.78 -53.28 2.08 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.287 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -135.13 130.85 36.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.709 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.8 78.15 1.04 Allowed Glycine 0 C--O 1.222 -0.633 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.041 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 29.29 71.06 0.06 Allowed 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.02 96.27 0.52 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.52 83.96 0.15 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.932 0.396 . . . . 0.0 110.232 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -160.78 144.12 13.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.548 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -142.94 125.83 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.481 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.14 -46.94 84.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.515 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 59.3 m 47.36 42.0 13.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.731 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.22 126.72 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -62.21 -39.64 93.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.715 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.71 132.8 10.11 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.31 131.99 10.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.765 0.316 . . . . 0.0 110.449 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 61.3 m -130.62 147.98 52.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.734 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.59 63.51 2.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.614 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.3 113.37 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.584 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 98.5 m -116.87 130.76 56.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.9 -162.17 1.01 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.84 -61.83 1.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 110.929 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.47 -96.83 0.71 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.27 109.02 16.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.793 0.33 . . . . 0.0 110.31 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -151.38 136.72 17.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.796 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 74.1 m -108.12 133.02 52.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.915 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.418 ' OG1' ' C ' ' B' ' 71' ' ' THR . 29.9 p -73.18 166.16 46.21 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.537 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . 0.405 ' N ' ' OG1' ' D' ' 71' ' ' THR . 38.6 Cg_endo -90.72 104.04 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 123.009 2.472 . . . . 0.0 114.972 -175.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.13 139.59 41.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.523 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.09 87.48 1.16 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.24 82.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.954 0.407 . . . . 0.0 111.147 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.58 -88.38 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.22 -1.152 . . . . 0.0 110.22 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 37.5 p -138.02 132.17 31.81 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.236 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.9 96.24 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.093 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.97 103.01 0.14 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.71 94.05 0.09 OUTLIER Glycine 0 CA--C 1.519 0.33 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -81.18 -72.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.67 -58.26 2.29 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -160.4 137.42 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.697 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.53 98.14 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.384 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.86 103.31 8.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.82 163.99 33.32 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.225 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 92.7 p -136.78 150.44 48.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.228 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.75 176.76 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.082 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 93.5 p -170.43 158.28 6.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.427 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.3 173.69 12.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.752 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.51 80.62 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.202 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.32 50.08 0.1 Allowed Glycine 0 CA--C 1.527 0.823 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.473 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.16 113.19 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.705 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.22 126.48 35.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 107.95 11.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.402 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.2 25.9 10.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.649 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.525 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -107.62 96.49 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.524 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 42.0 t -73.6 142.08 46.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.512 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.11 -105.32 2.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.22 128.51 55.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 0.0 110.536 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 42.7 m -133.74 153.08 51.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.503 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.9 -167.18 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.07 160.4 32.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.028 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 94.7 m -127.19 129.13 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -125.17 146.16 49.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.79 -53.27 2.08 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.161 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 47.8 t -135.07 131.03 36.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.821 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.75 78.08 1.04 Allowed Glycine 0 C--O 1.222 -0.642 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.018 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . 0.408 ' HA ' ' O ' ' E' ' 49' ' ' GLY . 10.7 m-85 29.21 71.24 0.06 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.06 96.22 0.53 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.61 84.02 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.872 0.368 . . . . 0.0 110.2 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.87 143.98 13.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.639 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.3 t -142.86 125.81 16.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.549 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -63.15 -47.06 84.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.461 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m 47.49 42.01 13.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.766 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.29 126.59 53.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -62.11 -39.59 93.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.783 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.77 132.75 10.06 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.21 132.05 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.7 0.286 . . . . 0.0 110.439 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 61.6 m -130.72 147.93 52.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.749 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 49.52 63.56 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.958 0.409 . . . . 0.0 110.578 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.19 113.43 25.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.634 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.7 m -117.05 130.59 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.61 -162.06 0.89 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -61.48 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.609 0.242 . . . . 0.0 110.973 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.16 -96.81 0.72 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.25 108.93 16.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.773 0.32 . . . . 0.0 110.366 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -151.45 136.69 17.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.807 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 74.5 m -107.98 133.1 52.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.963 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . 0.42 ' C ' ' OG1' ' E' ' 71' ' ' THR . 30.0 p -73.28 166.2 45.96 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . 0.417 ' HB3' ' C ' ' E' ' 72' ' ' PRO . 38.4 Cg_endo -90.83 104.09 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 123.032 2.488 . . . . 0.0 114.986 -175.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.2 139.57 41.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.578 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.01 87.46 1.15 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 61.15 82.23 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.98 0.419 . . . . 0.0 111.204 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.55 -88.32 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 39.4 p -138.03 132.31 32.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.31 . . . . 0.0 110.255 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.04 96.04 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.377 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.67 102.86 0.13 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.75 94.03 0.09 OUTLIER Glycine 0 CA--C 1.519 0.305 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.02 -72.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.472 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.6 -58.16 2.32 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.43 137.55 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.808 0.337 . . . . 0.0 110.659 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.63 98.09 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.364 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.81 103.38 9.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.86 163.93 33.54 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.238 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 92.9 p -136.79 150.49 48.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.285 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.79 176.73 1.8 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 0.0 111.064 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -170.39 158.36 6.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.401 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.36 173.53 13.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.652 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.49 80.68 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.17 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.26 50.02 0.1 Allowed Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.597 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.1 113.11 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 110.763 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.16 126.44 35.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.692 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.47 107.84 11.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.49 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.25 25.85 10.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.76 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.604 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -107.6 96.31 6.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.662 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 42.0 t -73.43 141.92 46.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.05 -105.29 2.0 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.25 128.58 55.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.329 . . . . 0.0 110.526 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 43.4 m -133.85 153.02 52.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -110.86 -167.21 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.663 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.09 160.33 32.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 95.5 m -127.17 129.32 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.665 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -125.12 146.3 49.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.58 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . 0.414 HG22 ' N ' ' E' ' 48' ' ' SER . 1.1 m -121.76 -51.21 2.04 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 119.38 -0.928 . . . . 0.0 112.157 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . 0.414 ' N ' HG22 ' E' ' 47' ' ' THR . 40.4 t -131.28 128.83 40.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.234 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.72 71.95 0.63 Allowed Glycine 0 C--O 1.216 -0.993 0 C-N-CA 118.104 -1.998 . . . . 0.0 113.212 178.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . 0.423 ' C ' ' O ' ' E' ' 49' ' ' GLY . 11.6 m-85 29.09 75.63 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.266 0.555 . . . . 0.0 111.213 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.49 93.88 0.55 Allowed Glycine 0 CA--C 1.518 0.225 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 69.38 84.23 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.987 0.423 . . . . 0.0 110.198 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 48.3 t -160.89 144.14 13.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.5 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.87 125.89 16.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.546 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -63.14 -46.98 84.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.569 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 57.5 m 47.34 41.95 13.14 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.16 126.66 53.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.922 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -62.18 -39.63 93.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.638 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.82 132.75 10.06 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.22 132.08 10.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.758 0.313 . . . . 0.0 110.378 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 62.3 m -130.82 148.04 52.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.27 63.94 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.611 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.5 113.74 25.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.578 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -117.09 130.68 56.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.432 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.59 -162.26 0.91 Allowed Glycine 0 CA--C 1.524 0.637 0 O-C-N 124.017 0.823 . . . . 0.0 111.131 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.89 -61.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.592 0.234 . . . . 0.0 111.035 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.22 -97.03 0.72 Allowed Glycine 0 N--CA 1.464 0.537 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.08 108.88 16.26 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -151.28 137.38 18.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 0.0 110.787 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 72.9 m -108.78 133.75 52.42 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.668 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . 0.422 ' C ' ' OG1' ' F' ' 71' ' ' THR . 30.2 p -73.5 166.26 45.59 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.585 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . 0.417 ' C ' ' HB3' ' D' ' 72' ' ' PRO . 42.4 Cg_endo -91.91 108.03 0.25 Allowed 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 121.869 1.713 . . . . 0.0 113.899 -176.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -57.63 140.04 52.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.297 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.82 87.31 1.14 Allowed Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 62.1 80.42 0.23 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.453 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -47.62 -90.27 0.01 OUTLIER Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.069 -1.212 . . . . 0.0 110.069 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 42.1 p -136.93 132.63 34.71 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.018 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.4 99.03 2.87 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.742 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.26 105.84 0.55 Allowed Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.87 97.31 0.21 Allowed Glycine 0 C--N 1.335 0.503 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -82.12 -73.4 0.39 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.07 0.462 . . . . 0.0 110.462 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.14 -58.13 2.38 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.3 137.58 9.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.67 0.272 . . . . 0.0 110.615 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 32.9 t -139.5 97.22 3.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.72 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.12 102.46 8.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.0 110.64 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.76 163.39 35.11 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.007 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 92.8 p -136.64 150.44 48.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.278 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.8 1.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.109 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -169.88 158.51 7.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.469 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -162.83 174.12 12.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.851 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.28 79.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.455 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.74 49.46 0.11 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.606 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -96.32 112.82 24.43 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 122.856 -0.203 . . . . 0.0 111.136 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.07 126.6 36.26 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.799 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.37 108.05 11.78 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.527 0.517 . . . . 0.0 110.089 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.2 25.93 10.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.831 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.68 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -107.63 96.46 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.61 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 42.2 t -73.52 142.08 46.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.572 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.09 -105.28 2.0 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.37 128.53 56.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 110.539 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 42.8 m -133.7 153.04 51.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.92 -167.23 1.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.63 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 87.0 p -73.04 160.32 32.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -127.09 129.28 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.625 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.24 146.16 49.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.8 -53.36 2.08 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.183 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -135.07 130.61 35.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.801 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' F' ' 50' ' ' TYR . . . 108.98 78.48 1.06 Allowed Glycine 0 C--O 1.222 -0.615 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.925 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' F' ' 49' ' ' GLY . 10.4 m-85 29.05 71.18 0.06 Allowed 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.16 96.17 0.53 Allowed Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.65 83.91 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.86 0.362 . . . . 0.0 110.192 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -160.85 144.11 13.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.604 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.89 125.81 16.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.592 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -63.23 -46.91 84.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.481 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m 47.33 42.06 13.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.842 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 77.5 p -109.3 126.64 53.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.871 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -62.09 -39.67 93.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.731 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.73 132.78 10.09 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.27 132.12 10.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.744 0.307 . . . . 0.0 110.32 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -130.84 147.97 52.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.626 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.57 63.46 2.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.679 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.19 113.47 25.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.593 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.9 130.83 56.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.427 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.02 -161.97 1.02 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.94 -61.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.621 0.248 . . . . 0.0 110.908 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.42 -96.87 0.71 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 44.8 p -117.14 109.13 16.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -151.46 136.7 17.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.786 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 74.7 m -108.05 133.03 52.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.028 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . 0.422 ' OG1' ' C ' ' E' ' 71' ' ' THR . 30.0 p -73.21 166.13 46.46 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . 0.409 ' C ' ' HB3' ' E' ' 72' ' ' PRO . 38.9 Cg_endo -90.75 104.01 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 123.017 2.478 . . . . 0.0 114.978 -175.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.08 139.48 41.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.561 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.07 87.58 1.16 Allowed Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.4 81.94 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.874 0.369 . . . . 0.0 111.154 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.46 -88.37 0.01 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 38.1 p -138.03 132.2 31.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.213 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.85 96.13 2.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.063 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.93 102.93 0.14 Allowed Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.65 94.02 0.09 OUTLIER Glycine 0 CA--C 1.518 0.274 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -81.0 -72.08 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.467 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.66 -58.17 2.31 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 47.8 t -160.43 137.42 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.662 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.59 98.19 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.324 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.81 103.36 9.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.494 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.92 163.96 33.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.922 0.391 . . . . 0.0 111.176 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 93.0 p -136.77 150.54 48.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.307 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.81 176.72 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 111.148 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -170.43 158.27 6.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.469 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.28 173.71 12.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.789 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.43 80.53 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.26 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.2 49.97 0.1 Allowed Glycine 0 CA--C 1.526 0.73 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.633 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.04 113.14 24.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.735 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.17 126.48 35.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.748 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.48 107.88 11.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.399 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.15 25.95 10.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.676 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -107.58 96.5 6.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.553 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 41.9 t -73.56 142.03 46.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.53 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.01 -105.38 2.0 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -111.22 128.46 55.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.735 0.303 . . . . 0.0 110.554 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 43.0 m -133.75 153.03 52.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.513 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.9 -167.22 1.15 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.62 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 86.8 p -73.08 160.37 32.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.17 129.24 47.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -125.24 146.29 49.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.413 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.88 -53.34 2.07 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -135.03 130.86 36.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.845 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 108.81 78.13 1.04 Allowed Glycine 0 C--O 1.223 -0.585 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.033 179.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' G' ' 49' ' ' GLY . 10.5 m-85 29.45 71.06 0.07 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 178.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.1 96.23 0.53 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.61 83.86 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.39 . . . . 0.0 110.258 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.76 144.14 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.92 125.82 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.524 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -63.27 -46.91 84.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.461 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m 47.3 42.04 13.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.22 126.69 53.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -62.15 -39.61 93.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.729 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.76 132.77 10.08 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -155.3 132.07 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.726 0.298 . . . . 0.0 110.411 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 62.2 m -130.73 147.99 52.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.682 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.56 63.42 2.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.659 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.11 113.4 25.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 98.4 m -116.86 130.72 56.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.88 -162.09 0.99 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -61.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.609 0.242 . . . . 0.0 110.927 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.43 -96.84 0.71 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.17 108.96 16.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.752 0.31 . . . . 0.0 110.258 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -151.47 136.71 17.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.758 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 74.3 m -108.13 133.09 52.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . 0.419 ' OG1' ' C ' ' F' ' 71' ' ' THR . 30.2 p -73.29 166.25 45.51 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.484 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . 0.408 ' HB3' ' C ' ' H' ' 72' ' ' PRO . 38.5 Cg_endo -90.75 103.92 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 123.039 2.493 . . . . 0.0 115.001 -175.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -55.0 139.53 40.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.569 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.02 87.38 1.16 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.3 82.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 111.179 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.56 -88.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 40.3 p -138.21 132.23 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.174 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -149.86 96.19 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.104 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.94 103.01 0.14 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.7 94.1 0.09 OUTLIER Glycine 0 CA--C 1.519 0.326 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -81.19 -72.1 0.44 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.442 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.63 -58.24 2.3 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 48.0 t -160.41 137.47 9.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.627 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 33.2 t -139.57 98.11 3.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.331 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.77 103.36 9.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.91 163.95 33.53 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.266 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.74 150.56 48.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.236 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.87 176.74 1.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.913 0.387 . . . . 0.0 111.101 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 93.6 p -170.39 158.3 6.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.484 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 58.5 m -163.29 173.63 13.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.827 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.5 80.69 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.202 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.34 50.14 0.1 Allowed Glycine 0 CA--C 1.528 0.872 0 C-N-CA 120.699 -0.762 . . . . 0.0 111.551 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -98.2 113.15 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.849 0.357 . . . . 0.0 110.715 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.19 126.47 35.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.764 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.55 107.9 11.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.388 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.28 25.78 10.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.723 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.62 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -107.56 96.52 6.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.596 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 41.9 t -73.53 142.07 46.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -95.0 -105.46 2.0 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -111.14 128.56 55.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.695 0.283 . . . . 0.0 110.535 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 42.7 m -133.75 153.06 51.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -110.94 -167.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.598 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 87.1 p -73.13 160.37 32.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 95.4 m -127.14 129.2 47.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.659 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -125.24 146.24 49.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.422 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -120.88 -53.26 2.07 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.202 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 47.9 t -135.07 130.8 36.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.763 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 108.9 78.07 1.03 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.038 179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' H' ' 49' ' ' GLY . 10.5 m-85 29.36 71.09 0.06 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.09 96.28 0.53 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 68.58 83.96 0.15 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 110.265 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 48.5 t -160.84 144.08 13.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.593 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 41.5 t -142.86 125.84 16.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.563 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.18 -46.96 84.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.503 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 58.4 m 47.35 41.99 13.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.794 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 77.7 p -109.21 126.7 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.906 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -62.22 -39.63 93.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.658 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.79 10.09 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -155.36 132.06 10.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.307 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 62.1 m -130.76 147.99 52.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.61 63.45 2.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.666 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.24 113.43 25.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.652 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 98.6 m -116.85 130.79 56.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.536 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.93 -162.02 1.0 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.93 -61.85 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.568 0.223 . . . . 0.0 110.92 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.48 -96.88 0.71 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 44.7 p -117.15 108.97 16.33 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -151.42 136.84 17.7 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.779 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 74.2 m -108.19 133.14 52.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . 0.417 ' OG1' ' C ' ' G' ' 71' ' ' THR . 30.1 p -73.27 166.17 46.19 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.534 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . 0.408 ' C ' ' HB3' ' G' ' 72' ' ' PRO . 39.6 Cg_endo -90.68 103.95 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.997 2.465 . . . . 0.0 114.95 -175.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.01 139.6 40.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.607 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.99 87.48 1.15 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.38 82.14 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.82 0.343 . . . . 0.0 111.154 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.54 -88.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 39.4 p -138.1 132.2 31.69 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.224 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.88 96.12 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.057 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.84 103.01 0.14 Allowed Glycine 0 CA--C 1.523 0.534 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.72 94.07 0.09 OUTLIER Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -81.18 -72.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.69 -58.12 2.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 47.9 t -160.43 137.47 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.796 0.332 . . . . 0.0 110.647 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 33.0 t -139.62 98.16 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.362 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.83 103.25 8.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 2.2 t -145.8 163.95 33.41 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.263 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 92.5 p -136.8 150.51 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.217 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.85 176.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.104 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 93.8 p -170.4 158.28 6.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.464 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 58.6 m -163.28 173.59 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.748 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.51 80.96 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.182 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.46 50.03 0.1 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.582 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -98.05 113.14 24.92 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.719 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.15 126.5 35.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.753 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 107.88 11.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.413 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.2 25.95 10.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.708 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.574 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -107.6 96.46 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.577 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 41.6 t -73.63 142.02 46.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.477 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.87 -105.39 1.97 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -111.14 128.69 55.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.716 0.294 . . . . 0.0 110.511 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 43.6 m -133.84 153.07 52.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.481 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -110.79 -167.37 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.633 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 86.7 p -72.99 160.36 32.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -127.2 129.12 47.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.66 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -125.4 145.4 50.07 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.513 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -120.36 -53.85 2.11 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.162 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -134.45 131.07 37.68 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.796 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 108.81 78.19 1.04 Allowed Glycine 0 C--O 1.223 -0.569 0 C-N-CA 120.355 -0.926 . . . . 0.0 111.938 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' I' ' 49' ' ' GLY . 10.5 m-85 29.09 72.82 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.42 96.18 0.63 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 68.52 83.56 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.886 0.374 . . . . 0.0 110.277 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -160.41 144.17 13.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.573 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.4 t -142.95 125.83 16.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.502 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.18 -46.98 84.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 58.3 m 47.45 41.89 13.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.791 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 77.6 p -109.19 126.76 53.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.393 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -62.26 -39.57 93.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.643 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -117.78 132.71 10.04 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -155.29 132.08 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.312 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 61.4 m -130.73 148.0 52.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.631 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 49.55 63.43 2.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.668 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -90.18 113.4 25.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.66 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 98.8 m -116.71 130.81 56.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -66.01 -161.94 1.01 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.07 -61.65 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.887 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.34 -96.95 0.72 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 46.2 p -117.05 108.79 16.17 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -151.23 136.81 17.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.58 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 74.8 m -108.02 133.08 52.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.001 0.429 . . . . 0.0 110.851 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . 0.404 ' OG1' ' C ' ' H' ' 71' ' ' THR . 30.8 p -72.47 167.29 34.2 Favored Pre-proline 0 CA--C 1.536 0.435 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -91.09 104.76 0.27 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.978 2.452 . . . . 0.0 114.813 -177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -55.66 139.96 42.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.565 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.17 87.49 1.17 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 61.57 82.41 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.287 -0.165 . . . . 0.0 110.961 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -49.58 -88.1 0.01 OUTLIER Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 39.2 p -137.98 132.17 31.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.81 96.18 2.42 Favored 'General case' 0 CA--C 1.517 -0.312 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.027 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.14 103.25 0.16 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -61.62 94.66 0.09 OUTLIER Glycine 0 CA--C 1.521 0.412 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -82.51 -71.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.264 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.64 -58.09 2.33 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 48.1 t -160.43 137.54 9.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.806 0.336 . . . . 0.0 110.713 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 33.1 t -139.66 98.1 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.385 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -120.79 103.27 8.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.42 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -145.84 163.6 34.54 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.2 -179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 92.6 p -136.43 150.42 48.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.273 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.88 176.35 1.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.087 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -169.98 158.45 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.517 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 58.6 m -163.38 173.12 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.905 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -171.18 82.85 0.08 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.69 50.04 0.09 OUTLIER Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.608 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -98.08 113.07 24.84 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.806 0.336 . . . . 0.0 110.769 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -131.27 126.46 35.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.5 107.93 11.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.447 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.21 25.91 10.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.671 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.626 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 53.34 89.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.677 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -136.09 123.87 22.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.59 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.67 136.23 13.03 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.8 -166.43 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.555 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 82.5 p -69.85 159.01 34.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.692 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -177.54 86.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.696 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.6 p -69.8 157.37 37.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.294 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.2 m -129.16 122.63 30.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.817 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -150.59 125.72 9.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.6 m -50.1 -60.9 2.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.26 0.552 . . . . 0.0 110.016 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -131.55 -95.82 0.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.091 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.31 51.74 20.19 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.659 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 48.96 -168.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.455 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.56 -53.0 1.36 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -164.06 -81.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.657 0.265 . . . . 0.0 110.438 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -130.19 126.91 38.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.894 0.378 . . . . 0.0 110.682 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.1 p -103.26 148.81 25.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.245 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -121.21 138.82 54.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.9 m -155.56 141.27 17.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.473 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.7 p -156.65 148.89 23.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.7 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.27 177.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.904 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.35 153.72 25.29 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.88 -40.18 92.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.7 m -91.8 178.75 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.558 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.88 -177.65 6.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.638 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -58.29 119.69 7.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.697 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.5 m -126.93 139.21 53.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.438 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.1 -161.86 0.1 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.31 -49.38 44.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.61 -99.85 1.35 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.02 110.91 19.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.024 0.44 . . . . 0.0 110.219 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.45 7.95 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.802 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.8 m -125.4 120.87 32.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.947 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.406 HG22 ' HD2' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -85.99 171.75 9.84 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.767 -179.328 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.406 ' HD2' HG22 ' A' ' 71' ' ' THR . 73.4 Cg_exo -42.96 169.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 123.187 2.591 . . . . 0.0 113.584 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -98.97 -158.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.498 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.68 91.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -177.63 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.727 0.298 . . . . 0.0 110.889 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.05 -173.07 3.05 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.61 86.85 4.54 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.727 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.402 ' OG1' HG22 ' B' ' 78' ' ' THR . 43.0 p -67.42 158.36 31.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.004 0.43 . . . . 0.0 109.992 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.71 -158.61 4.4 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.74 -80.3 1.42 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -54.08 174.74 0.05 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.853 0.358 . . . . 0.0 110.714 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.69 -36.89 3.29 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.578 -0.609 . . . . 0.0 111.578 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 t 73.18 131.11 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.85 0.357 . . . . 0.0 110.687 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.1 t -117.39 122.57 44.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.475 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.87 104.59 7.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.436 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.01 174.3 10.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.104 0.478 . . . . 0.0 111.222 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.46 138.22 23.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.924 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.92 -166.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.558 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -165.32 169.61 15.62 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.334 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.67 118.3 22.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.061 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -130.81 101.61 5.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.754 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.64 53.56 0.63 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.49 110.79 23.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.66 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.44 132.44 27.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.834 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.6 m -127.65 128.03 44.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.298 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.3 79.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.593 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 53.35 89.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.656 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -136.13 123.84 22.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.655 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.61 136.24 13.05 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.8 -165.97 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.758 0.314 . . . . 0.0 110.488 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 82.4 p -70.15 159.02 34.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.706 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -177.62 86.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.683 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -69.9 157.48 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.317 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.3 m -129.26 122.81 30.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -150.75 125.76 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.471 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.37 -61.25 2.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.029 0.443 . . . . 0.0 109.872 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -131.31 -95.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.03 53.86 13.54 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.475 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.82 -168.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.848 0.356 . . . . 0.0 110.748 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.91 -53.01 1.32 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.21 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.605 0.24 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 69.6 m -130.0 127.03 39.18 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 98.3 p -103.26 148.74 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.286 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -121.21 138.8 54.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.833 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 70.0 m -155.53 141.33 18.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.517 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 94.1 p -156.69 148.81 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.709 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.35 177.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.37 153.23 24.47 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.41 -40.15 89.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.571 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -91.79 178.94 5.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.49 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -152.07 -177.71 6.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.626 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.24 119.68 7.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.723 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 91.7 m -126.8 139.34 53.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.429 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.3 -161.77 0.11 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.5 -49.4 45.91 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.674 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.66 -100.06 1.37 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.55 110.85 19.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 110.175 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.53 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 119.906 -0.718 . . . . 0.0 111.722 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -125.44 120.84 32.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.857 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.405 HG22 ' HD2' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -85.66 171.93 9.65 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.596 -179.324 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.405 ' HD2' HG22 ' B' ' 71' ' ' THR . 69.1 Cg_exo -42.72 170.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 123.258 2.638 . . . . 0.0 113.404 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -100.86 -158.8 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.0 91.83 0.01 OUTLIER Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -176.99 -41.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.772 0.32 . . . . 0.0 110.725 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.82 -173.05 3.75 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -95.54 86.81 4.55 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.61 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.408 ' OG1' HG22 ' C' ' 78' ' ' THR . 43.4 p -66.99 158.63 30.44 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.025 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.18 -158.27 4.65 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.6 -80.1 1.41 Allowed Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -54.37 174.07 0.07 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.93 0.395 . . . . 0.0 110.898 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.17 -37.47 3.27 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.85 130.93 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.852 0.358 . . . . 0.0 110.628 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 44.3 t -117.18 122.68 44.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.85 103.37 6.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.646 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.77 174.54 10.47 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.414 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.41 138.06 23.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.889 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.65 -166.22 0.24 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.702 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -165.36 169.61 15.56 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.509 -0.477 . . . . 0.0 111.28 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.59 118.18 22.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.067 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -131.14 102.06 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.81 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.33 54.24 0.62 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -96.64 110.67 23.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.802 0.334 . . . . 0.0 110.674 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.43 132.49 27.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 66.5 m -127.62 128.13 45.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.361 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.2 79.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.565 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.45 89.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.621 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 44.1 t -136.15 123.78 22.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.677 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.56 136.28 13.09 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.76 -165.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.33 . . . . 0.0 110.458 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 82.5 p -70.29 158.98 34.91 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.74 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -177.52 86.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.706 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 82.7 p -69.81 157.42 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.313 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -129.32 122.81 30.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.802 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -150.71 125.82 9.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.481 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.43 -61.31 2.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.051 0.453 . . . . 0.0 109.888 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -131.28 -95.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.12 53.81 13.98 Favored Glycine 0 CA--C 1.521 0.436 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.426 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.86 -168.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.853 0.358 . . . . 0.0 110.819 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.91 -52.98 1.33 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.29 -81.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.618 0.247 . . . . 0.0 110.437 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 70.0 m -130.02 126.93 38.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.954 0.407 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.16 148.72 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.334 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -121.19 138.87 54.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.91 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 69.7 m -155.61 141.33 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.48 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 93.8 p -156.72 148.78 22.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.756 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.26 177.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.27 153.21 24.28 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.33 -40.24 89.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.563 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 66.3 m -91.79 178.88 5.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -152.01 -177.63 6.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.638 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.35 119.77 7.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 92.1 m -126.85 139.49 53.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.431 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.39 -161.7 0.11 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.53 -49.43 46.09 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.67 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.7 -100.05 1.36 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.59 110.87 19.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.27 171.55 7.86 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.813 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 71.0 m -125.39 120.75 31.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.875 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.406 HG22 ' HD2' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -85.6 171.9 9.73 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.619 -179.386 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . 0.406 ' HD2' HG22 ' C' ' 71' ' ' THR . 69.2 Cg_exo -42.63 170.75 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 123.299 2.666 . . . . 0.0 113.398 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.03 -158.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.92 91.89 0.01 OUTLIER Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -176.96 -41.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.92 -173.11 3.82 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.58 86.73 4.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.666 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.408 HG22 ' OG1' ' B' ' 78' ' ' THR . 43.5 p -66.97 158.75 30.09 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.18 -158.26 4.64 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 109.984 -1.246 . . . . 0.0 109.984 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.67 -80.07 1.41 Allowed Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -54.47 174.02 0.07 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.761 0.315 . . . . 0.0 110.994 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.19 -37.48 3.27 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.97 130.96 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.588 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.29 122.52 44.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.72 103.42 6.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.705 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.8 174.59 10.42 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.4 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.34 138.05 23.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.993 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.68 -166.23 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.68 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.6 p -165.32 169.48 15.77 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.346 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.44 118.22 22.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.114 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -131.18 102.16 5.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.13 54.42 0.62 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.72 110.76 23.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.759 0.314 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.45 132.47 27.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.819 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 66.1 m -127.63 128.05 44.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.394 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.23 79.78 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.633 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.579 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.51 89.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 44.0 t -136.22 123.78 22.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.655 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.51 136.17 13.01 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.74 -165.78 1.38 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.735 0.303 . . . . 0.0 110.463 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 82.0 p -70.28 159.06 34.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -177.67 86.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 82.7 p -69.94 157.61 37.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.409 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 98.3 m -129.5 122.51 29.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.097 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -150.45 125.64 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.472 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 19.4 m -50.43 -60.95 2.49 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 9.7 t -131.45 -95.62 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.12 53.93 13.67 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.509 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.82 -168.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 0.0 110.649 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.95 -52.88 1.33 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.3 -81.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -129.97 126.94 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.17 148.79 25.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.343 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -121.26 138.82 54.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.874 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 69.6 m -155.53 141.33 18.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.505 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 93.5 p -156.69 148.82 23.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.736 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.22 177.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.45 153.17 24.5 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.3 -40.26 89.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.823 0.344 . . . . 0.0 110.511 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 66.2 m -91.94 178.77 5.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.489 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.85 -177.6 6.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.39 119.7 7.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.622 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.88 139.33 53.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.53 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -161.68 0.1 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.51 -49.31 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.729 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.49 -100.02 1.38 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.55 110.67 19.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.16 171.59 7.95 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.723 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 71.2 m -125.46 120.91 32.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.869 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . 0.409 HG22 ' HD2' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -85.79 171.97 9.52 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.531 -179.262 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' D' ' 71' ' ' THR . 69.7 Cg_exo -42.69 170.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 123.203 2.602 . . . . 0.0 113.432 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.04 -158.78 0.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.98 91.73 0.01 OUTLIER Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -176.84 -41.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 110.784 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.89 -173.16 3.78 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -95.52 86.82 4.56 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.64 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . 0.411 ' OG1' HG22 ' E' ' 78' ' ' THR . 43.3 p -66.99 158.64 30.43 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.2 4.65 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.55 -80.08 1.41 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -54.39 174.25 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.951 0.405 . . . . 0.0 110.915 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.96 -37.51 3.25 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.96 131.0 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.621 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 44.2 t -117.21 122.6 44.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.541 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.78 103.35 6.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.773 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.73 174.43 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.416 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.22 138.07 23.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.956 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.66 -166.33 0.25 Allowed 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.672 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -165.19 169.52 15.95 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.227 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.48 118.21 22.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.107 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -131.36 101.99 5.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.928 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.33 54.36 0.62 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.67 110.67 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.38 132.45 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 65.7 m -127.57 127.97 44.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.414 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.39 79.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.565 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.24 89.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.622 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 43.9 t -136.42 123.77 21.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.54 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.55 136.1 12.95 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.72 -165.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 110.568 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 81.8 p -70.2 158.92 34.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.791 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -177.53 86.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.646 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 82.9 p -69.94 157.47 37.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.386 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -129.26 122.42 29.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -150.06 126.7 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.632 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -52.6 -60.03 3.74 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.216 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -130.46 -95.01 0.38 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.722 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 50.59 49.37 40.16 Favored Glycine 0 C--N 1.343 0.931 0 C-N-CA 119.72 -1.229 . . . . 0.0 112.059 176.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.28 -168.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.377 0.608 . . . . 0.0 110.247 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.54 -52.82 1.28 Allowed Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -163.9 -83.99 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 67.6 m -129.21 127.29 40.99 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.314 -178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -103.86 148.5 26.07 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.967 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.03 138.87 53.96 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.857 0.361 . . . . 0.0 110.984 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 69.2 m -155.53 141.23 17.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.652 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 94.7 p -156.69 148.82 23.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.72 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.32 177.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.36 153.24 24.48 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.45 -40.18 90.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.798 0.332 . . . . 0.0 110.492 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.86 178.87 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.9 -177.53 6.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.681 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -58.24 119.19 6.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.776 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 92.0 m -126.53 139.25 53.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.88 -162.23 0.1 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -48.87 -50.32 35.45 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.669 0.271 . . . . 0.0 110.309 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.12 -100.16 1.34 Allowed Glycine 0 N--CA 1.463 0.466 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -115.59 110.17 18.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.7 0.286 . . . . 0.0 110.267 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -168.41 171.81 8.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.92 -0.712 . . . . 0.0 111.803 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 70.5 m -125.7 121.77 34.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.795 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.56 171.9 9.33 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.554 1.159 . . . . 0.0 110.162 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -43.12 171.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.501 1.963 0 C-N-CA 123.151 2.568 . . . . 0.0 113.286 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -100.83 -159.4 0.73 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.816 -1.083 . . . . 0.0 108.237 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.24 90.71 0.01 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -176.61 -40.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.623 0.249 . . . . 0.0 111.157 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.53 -173.25 3.41 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -94.97 86.01 4.52 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.158 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . 0.411 HG22 ' OG1' ' D' ' 78' ' ' THR . 44.7 p -66.59 158.5 29.67 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -157.66 4.34 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.86 -80.43 1.42 Allowed Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -54.11 174.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.669 0.271 . . . . 0.0 111.537 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.06 -38.02 3.17 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.705 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t 74.04 131.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.026 0.441 . . . . 0.0 110.307 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 43.9 t -117.8 121.88 41.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.407 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.07 102.34 6.45 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.609 0.719 . . . . 0.0 111.284 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.7 173.67 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.261 -0.899 . . . . 0.0 110.981 -177.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.24 138.01 23.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.835 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.47 -166.45 0.26 Allowed 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 121.872 0.844 . . . . 0.0 110.866 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p -164.13 171.01 15.64 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.837 -1.165 . . . . 0.0 111.458 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.87 117.69 21.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.598 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -130.28 100.59 5.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.261 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 109.11 53.99 0.59 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -96.11 110.64 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.57 0.224 . . . . 0.0 110.75 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.42 132.63 28.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.381 . . . . 0.0 110.818 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 66.1 m -127.56 127.94 44.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.23 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.41 79.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.638 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.579 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.34 89.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.684 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 44.2 t -136.15 123.77 22.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.624 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.66 136.46 13.22 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.89 -165.96 1.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.661 0.267 . . . . 0.0 110.704 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 82.5 p -70.23 158.95 34.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.749 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -177.54 86.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 82.9 p -69.85 157.44 37.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.247 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -129.2 123.0 30.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -150.83 125.92 9.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.533 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 19.9 m -50.33 -61.54 2.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.059 0.457 . . . . 0.0 109.847 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -131.15 -95.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.17 53.87 13.99 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.467 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.68 -168.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.94 -53.08 1.31 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.23 -81.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.634 0.254 . . . . 0.0 110.411 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 70.2 m -130.0 126.87 38.79 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 98.7 p -103.2 148.77 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.312 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.19 138.78 54.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.89 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 69.7 m -155.54 141.29 18.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.52 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 94.2 p -156.68 148.85 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.705 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.19 177.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.929 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.29 153.24 24.36 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.36 -40.28 90.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.475 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 66.5 m -91.87 178.92 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.514 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.94 -177.6 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.732 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.45 119.75 7.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.645 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.75 139.56 53.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.3 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.48 -161.57 0.11 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.42 -49.67 44.0 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.726 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.84 -100.04 1.35 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.52 110.95 20.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.27 171.73 7.74 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 119.934 -0.707 . . . . 0.0 111.764 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 70.8 m -125.49 120.68 31.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.949 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . 0.407 HG22 ' HD2' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -85.55 172.01 9.53 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.628 -179.367 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . 0.407 ' HD2' HG22 ' F' ' 71' ' ' THR . 67.8 Cg_exo -42.77 170.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 123.301 2.667 . . . . 0.0 113.346 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -101.04 -158.88 0.7 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.94 91.82 0.01 OUTLIER Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -176.85 -41.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.715 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.95 -173.07 3.86 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 9.8 t -95.64 86.8 4.52 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.704 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . 0.41 HG22 ' OG1' ' E' ' 78' ' ' THR . 43.5 p -66.96 158.73 30.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.04 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.11 -158.23 4.56 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.69 -80.09 1.41 Allowed Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -54.5 173.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.947 0.403 . . . . 0.0 110.879 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.22 -37.37 3.28 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 73.85 130.89 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 110.699 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.19 122.69 44.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.86 103.3 6.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.706 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.64 174.67 10.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.448 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.39 137.98 23.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.908 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.52 -166.28 0.25 Allowed 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.746 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -165.4 169.5 15.63 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.305 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.57 118.12 22.44 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.157 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -130.99 102.14 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.668 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.17 54.36 0.62 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.68 110.7 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.641 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.48 132.47 27.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.755 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 66.2 m -127.58 128.03 44.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.436 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.38 79.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.656 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.579 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.39 89.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.653 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 44.1 t -136.12 123.84 22.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.605 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.59 136.35 13.14 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.81 -165.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 110.488 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 82.2 p -70.19 158.98 34.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.78 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -177.55 86.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.643 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -69.91 157.38 37.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.34 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 96.1 m -129.15 122.77 30.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -150.66 125.8 9.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.481 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.49 -61.29 2.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 109.869 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -131.26 -95.56 0.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.13 53.87 13.85 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.452 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.81 -168.37 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.825 0.345 . . . . 0.0 110.832 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.15 -52.98 1.3 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.22 -81.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.661 0.267 . . . . 0.0 110.442 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 69.9 m -129.91 127.04 39.34 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -103.26 148.69 25.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.321 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -121.11 138.79 54.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.894 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 69.5 m -155.48 141.29 18.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.538 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -156.64 148.89 23.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.705 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.2 177.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.976 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.3 153.26 24.41 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.41 -40.13 89.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.517 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.94 178.86 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.511 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.9 -177.55 6.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.703 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.48 119.71 7.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 92.2 m -126.78 139.42 53.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.392 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -161.76 0.11 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.38 -49.48 44.38 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.705 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.66 -100.14 1.38 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.53 110.86 19.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.693 0.282 . . . . 0.0 110.242 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.24 171.63 7.84 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.782 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 71.2 m -125.51 120.72 31.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.869 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . 0.409 HG22 ' HD2' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -85.58 172.01 9.53 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.562 -179.266 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' G' ' 71' ' ' THR . 68.6 Cg_exo -42.8 170.8 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 123.322 2.682 . . . . 0.0 113.319 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -100.96 -158.88 0.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.82 91.75 0.01 OUTLIER Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -176.89 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.806 0.336 . . . . 0.0 110.804 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.93 -173.09 3.84 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.318 -1.113 . . . . 0.0 110.318 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.5 86.72 4.55 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.673 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . 0.41 ' OG1' HG22 ' H' ' 78' ' ' THR . 43.5 p -66.95 158.72 30.11 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.22 -158.25 4.68 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.65 -80.04 1.41 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -54.53 174.12 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.22 -37.65 3.26 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 3.4 t 74.0 130.95 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.815 0.341 . . . . 0.0 110.639 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.26 122.57 44.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.578 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.74 103.27 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.67 174.62 10.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.115 0.483 . . . . 0.0 111.398 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 45.8 t -147.35 137.99 23.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.908 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.61 -166.27 0.25 Allowed 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.666 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -165.31 169.5 15.77 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.33 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.54 118.19 22.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.15 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -131.14 102.11 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.808 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.17 54.54 0.62 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.85 110.69 23.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.331 . . . . 0.0 110.6 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -140.45 132.54 27.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.751 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 66.0 m -127.63 128.01 44.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.398 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.38 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.674 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.615 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 53.38 89.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.635 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 43.9 t -136.14 123.82 22.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.638 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.56 136.33 13.13 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.81 -165.88 1.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.749 0.309 . . . . 0.0 110.555 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 82.1 p -70.25 159.0 34.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.765 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -177.58 86.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -69.86 157.42 37.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.368 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 97.4 m -129.23 122.72 30.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -150.59 125.82 10.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.518 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 19.8 m -50.48 -61.25 2.3 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.562 -0.455 . . . . 0.0 109.858 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -131.3 -95.53 0.36 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 178.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 48.02 53.79 13.68 Favored Glycine 0 CA--C 1.521 0.463 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.51 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 46.91 -168.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.947 0.403 . . . . 0.0 110.721 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.1 -52.93 1.31 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -164.28 -81.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.607 0.241 . . . . 0.0 110.396 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -129.99 127.01 39.13 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 98.8 p -103.23 148.76 25.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.257 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -121.21 138.74 54.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 69.5 m -155.5 141.33 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.548 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -156.62 148.83 23.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.712 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 54.28 177.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.27 153.23 24.31 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.35 -40.28 90.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.829 0.347 . . . . 0.0 110.496 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 66.1 m -91.8 178.81 5.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.88 -177.57 6.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.622 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.4 119.66 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.73 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 92.8 m -126.77 139.57 53.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.371 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.43 -161.52 0.1 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -49.67 -49.41 47.58 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.626 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.7 -100.17 1.38 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.48 110.93 20.0 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.3 171.65 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.717 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 70.9 m -125.48 120.84 32.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.834 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . 0.406 HG22 ' HD2' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -85.68 171.98 9.53 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.552 -179.328 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . 0.406 ' HD2' HG22 ' H' ' 71' ' ' THR . 69.0 Cg_exo -42.68 170.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 123.231 2.621 . . . . 0.0 113.394 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.03 -158.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . -53.97 91.85 0.01 OUTLIER Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -176.85 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.683 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.1 -173.09 4.02 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -95.63 86.72 4.5 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.627 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . 0.41 HG22 ' OG1' ' G' ' 78' ' ' THR . 43.5 p -66.85 158.81 29.61 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.3 -158.23 4.75 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.019 -1.232 . . . . 0.0 110.019 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.57 -80.19 1.41 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -54.39 174.06 0.07 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.17 -37.5 3.27 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t 73.84 130.98 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.88 0.372 . . . . 0.0 110.643 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.28 122.63 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.547 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -129.83 103.35 6.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.678 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.75 174.51 10.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.073 0.463 . . . . 0.0 111.352 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 46.0 t -147.25 138.0 23.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.987 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -174.67 -166.41 0.25 Allowed 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.685 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -165.19 169.53 15.93 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.272 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.42 118.15 22.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.156 179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -131.2 102.17 5.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 108.15 54.57 0.62 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -96.79 110.6 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.651 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.33 132.5 28.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 66.4 m -127.66 128.07 44.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.389 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 9.8 t 58.35 79.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.604 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.613 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 53.3 89.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.698 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 44.1 t -136.09 123.89 22.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.637 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.72 136.21 13.01 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -165.42 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 110.616 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 82.2 p -70.54 159.07 34.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.778 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -177.73 86.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.671 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 83.0 p -69.82 157.39 37.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.341 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 99.8 m -129.39 122.8 30.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.122 0.487 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -150.5 126.73 10.62 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.474 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 19.2 m -51.7 -61.41 2.27 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 8.8 t -130.9 -94.58 0.38 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.23 53.99 10.63 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.592 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 47.08 -167.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 0.0 110.697 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.73 -53.33 1.21 Allowed Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -163.9 -81.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.684 0.278 . . . . 0.0 110.427 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 70.1 m -129.81 127.45 40.34 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.775 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -103.71 148.67 25.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.221 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -121.22 138.83 54.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m -155.51 141.32 18.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.489 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 94.4 p -156.66 148.83 23.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.635 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 54.17 177.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.915 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.22 153.16 24.11 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.42 -40.01 89.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.792 0.329 . . . . 0.0 110.514 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -92.04 178.54 5.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.508 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -151.69 -177.59 6.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -58.4 119.73 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.664 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 92.8 m -126.61 139.71 52.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.46 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.67 -161.39 0.11 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.78 -49.49 48.32 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.525 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.91 -100.35 1.38 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.397 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.56 110.84 19.81 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -169.29 171.56 7.82 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.525 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -125.19 121.38 33.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.784 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . 0.404 HG22 ' HD2' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -85.99 171.72 9.9 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.439 -179.351 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . 0.404 ' HD2' HG22 ' I' ' 71' ' ' THR . 73.1 Cg_exo -43.22 171.52 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 123.14 2.56 . . . . 0.0 113.224 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -101.06 -158.56 0.68 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.0 91.96 0.01 OUTLIER Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -176.4 -43.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.91 0.386 . . . . 0.0 110.567 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.98 -172.78 5.28 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -95.91 86.53 4.36 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . 0.402 HG22 ' OG1' ' H' ' 78' ' ' THR . 44.1 p -66.53 159.22 27.78 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.63 -158.09 4.99 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.56 -79.64 1.4 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -55.05 173.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 111.043 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.38 -37.3 3.3 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 3.6 t 73.62 131.11 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.495 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 44.4 t -117.39 122.68 44.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -129.9 103.4 6.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.441 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.74 174.32 10.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.07 0.462 . . . . 0.0 111.267 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 45.9 t -147.05 137.91 23.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.938 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -174.88 -167.78 0.31 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.697 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -163.9 169.84 17.58 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.445 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.39 117.98 22.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.23 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -131.48 102.49 5.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.251 0.548 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 107.91 55.02 0.62 Allowed Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.181 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -96.73 110.64 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.676 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -140.59 132.52 27.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.811 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 66.3 m -127.57 127.99 44.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.402 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 9.9 t 58.33 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.623 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.528 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.1 97.06 6.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.524 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.8 m -80.65 144.6 32.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.579 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.41 -154.64 23.24 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -127.64 155.23 44.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 110.857 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -113.01 18.27 18.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.071 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.77 -167.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.731 0.3 . . . . 0.0 110.638 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.76 156.97 23.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.984 0.421 . . . . 0.0 111.087 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.6 m -136.95 130.9 32.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.354 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -149.69 128.42 12.45 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.406 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.1 m -52.06 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.391 -0.523 . . . . 0.0 109.999 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.0 p -130.81 -98.38 0.33 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.183 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.43 53.78 6.74 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.66 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 51.32 -170.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.233 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.19 -54.61 1.09 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.18 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.853 0.359 . . . . 0.0 110.625 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.56 152.81 25.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.381 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -135.97 133.46 37.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.454 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.65 151.03 39.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.688 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.79 -162.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.566 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -73.23 170.38 15.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.71 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.71 19.13 11.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.68 -90.62 0.09 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.68 135.2 48.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.9 p -158.3 179.77 8.84 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.336 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -124.25 99.48 6.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.505 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -88.83 107.53 19.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.319 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.5 m -124.05 140.94 52.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.147 0.499 . . . . 0.0 111.248 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.8 -158.72 0.05 OUTLIER Glycine 0 CA--C 1.526 0.764 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -83.91 43.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.4 -108.71 0.21 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.8 p -134.45 125.05 26.64 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -147.88 164.45 33.67 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.216 0.531 . . . . 0.0 111.382 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -122.99 115.13 21.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.689 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.45 161.18 40.43 Favored Pre-proline 0 C--N 1.326 -0.418 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.074 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -28.62 105.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.167 0 C-N-CA 124.214 3.276 . . . . 0.0 114.84 -178.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -62.64 111.95 2.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.731 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.73 104.61 0.47 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 69.07 94.48 0.07 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.226 0.536 . . . . 0.0 111.263 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.24 -90.21 0.49 Allowed Glycine 0 CA--C 1.525 0.684 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.216 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -100.55 149.74 23.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.9 0.381 . . . . 0.0 111.148 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.2 m -111.37 111.2 22.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.21 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.81 101.69 0.85 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.18 100.71 0.2 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -71.43 132.5 44.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.885 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.17 -45.04 0.75 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.18 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.838 0.351 . . . . 0.0 110.39 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.3 t -104.71 -62.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.224 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.8 91.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.76 139.68 25.3 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.3 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.5 p -141.03 147.18 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.328 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.23 -177.76 1.91 Allowed 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.057 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.7 m -144.51 160.32 41.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.668 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.6 t -138.44 134.11 33.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -146.78 90.36 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.975 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.24 60.44 0.2 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.701 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -97.6 104.85 16.91 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.82 141.38 38.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.109 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.4 130.37 21.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.52 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.7 t 54.77 72.93 0.43 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.545 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.01 97.02 6.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -80.64 144.57 32.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.5 -154.65 23.44 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -127.49 155.11 44.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.353 . . . . 0.0 110.91 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.4 m -112.97 18.43 18.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.77 -167.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.746 0.308 . . . . 0.0 110.691 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.81 157.01 23.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.402 . . . . 0.0 111.205 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -136.94 130.93 32.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.417 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.7 128.37 12.41 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.759 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 31.7 m -52.29 -63.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.892 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 35.6 p -130.56 -98.35 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.09 55.62 5.63 Favored Glycine 0 C--N 1.338 0.651 0 C-N-CA 121.293 -0.48 . . . . 0.0 112.41 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.46 -170.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.218 0.509 . . . . 0.0 110.548 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.26 -54.61 1.08 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.16 -76.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 110.615 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 97.1 p -110.61 152.94 25.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.376 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -136.0 133.37 37.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.473 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.68 151.0 39.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.83 -162.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.481 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.21 170.62 14.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.676 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.97 19.15 11.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.78 -90.39 0.09 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.78 135.2 48.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 89.5 p -158.25 -179.79 8.43 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.333 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.62 99.48 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.471 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.93 107.58 19.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -123.85 141.12 52.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.18 -158.46 0.05 OUTLIER Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.07 44.59 1.02 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 122.804 -0.233 . . . . 0.0 111.427 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.7 -108.62 0.18 Allowed Glycine 0 C--N 1.337 0.597 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.41 125.08 26.78 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.84 164.85 32.39 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.379 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -123.3 115.16 21.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.681 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.48 161.04 40.73 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.011 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -28.6 103.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 124.482 3.455 . . . . 0.0 115.054 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -60.28 112.1 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.323 0.389 . . . . 0.0 110.142 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.51 104.84 0.45 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.33 94.36 0.07 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 111.184 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.16 -90.17 0.49 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 94.0 p -100.35 149.87 23.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.873 0.368 . . . . 0.0 111.079 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 45.6 m -111.25 111.05 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.272 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.57 101.69 0.86 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.2 100.92 0.2 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.47 132.62 45.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.017 0.436 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.17 -45.0 0.75 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.45 132.18 0.02 OUTLIER 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.709 0.29 . . . . 0.0 110.354 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.78 -63.03 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.143 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 50.0 91.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.7 139.75 25.42 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.335 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 90.8 p -140.96 147.22 38.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.412 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.2 -177.71 1.91 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.123 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 66.8 m -144.53 160.29 41.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.666 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.4 134.0 33.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -147.06 90.8 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.973 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.09 60.91 0.2 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.684 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.58 104.74 16.8 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.318 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.83 141.62 38.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.116 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.74 130.35 21.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.462 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 40.8 t 54.87 72.94 0.44 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.565 179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.04 96.89 6.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.585 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -80.6 144.62 32.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.595 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.48 -154.75 23.61 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -127.41 155.13 44.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 69.2 m -112.96 18.45 18.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.075 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.68 -167.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.763 0.316 . . . . 0.0 110.656 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 85.0 p -82.88 156.97 23.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.0 0.429 . . . . 0.0 111.2 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 93.3 m -136.94 130.96 32.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.406 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.72 128.45 12.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.762 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 31.9 m -52.27 -63.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.85 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 35.5 p -130.5 -98.26 0.34 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.15 55.44 5.75 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.464 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.69 -170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.489 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.29 -54.63 1.08 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.25 -76.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.626 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 97.5 p -110.59 152.94 25.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.4 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -136.06 133.42 37.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.412 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.7 150.93 39.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.738 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.73 -162.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.505 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.21 170.69 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.676 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -96.03 19.21 11.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.79 -90.47 0.09 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -129.82 135.18 48.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.19 -179.81 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.622 -0.431 . . . . 0.0 111.363 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.6 99.41 6.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.478 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -88.8 107.44 18.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.41 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 94.9 m -123.72 141.03 52.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.214 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.26 -158.41 0.05 OUTLIER Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.06 44.74 1.03 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.358 -179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.59 -108.59 0.18 Allowed Glycine 0 C--N 1.336 0.578 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -134.46 125.13 26.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.77 164.89 32.19 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.334 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 68.0 m -123.28 115.03 21.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.65 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 160.95 41.07 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.101 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -28.5 102.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 124.503 3.469 . . . . 0.0 115.15 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.05 112.27 1.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.484 0.49 . . . . 0.0 110.162 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.38 104.87 0.44 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.24 94.42 0.07 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.948 0.404 . . . . 0.0 111.182 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.12 -90.21 0.49 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 94.3 p -100.3 149.82 23.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.91 0.386 . . . . 0.0 111.104 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 48.3 m -111.27 111.17 22.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.198 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.57 101.76 0.87 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.17 100.87 0.2 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -71.52 132.71 45.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.133 0.492 . . . . 0.0 110.828 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.09 -44.89 0.76 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.32 132.17 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.806 0.336 . . . . 0.0 110.395 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.75 -62.98 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.206 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.98 91.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.778 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.72 139.82 25.45 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 91.0 p -141.01 147.11 38.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.42 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.12 -177.77 1.95 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.107 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 67.0 m -144.43 160.31 41.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.648 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.28 134.01 33.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.51 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -147.21 90.92 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.95 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.08 60.93 0.2 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.708 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.6 104.69 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.302 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.78 141.64 38.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.076 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.67 130.37 21.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.87 72.88 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.599 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.594 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.05 97.06 6.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.503 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 68.3 m -80.73 144.66 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.57 -154.76 23.8 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -127.44 155.18 44.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 69.3 m -112.97 18.4 18.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.078 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.72 -167.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.775 0.321 . . . . 0.0 110.585 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.82 157.06 23.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -136.99 130.89 32.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.442 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.67 128.3 12.38 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.719 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 31.8 m -52.18 -63.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.899 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 35.7 p -130.54 -98.23 0.33 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.13 55.43 5.74 Favored Glycine 0 C--N 1.338 0.646 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.439 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.55 -170.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.534 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.15 -54.6 1.09 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.26 -76.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.627 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 97.0 p -110.52 152.9 25.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.377 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -136.01 133.47 37.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.475 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.78 150.89 39.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.764 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 -162.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.459 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 59.9 p -73.12 170.62 14.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.643 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.96 19.12 12.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.8 -90.41 0.09 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.85 135.13 48.03 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.21 -179.81 8.46 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.283 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -124.61 99.42 6.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.479 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.48 19.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.36 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.5 m -123.7 141.09 52.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.16 -158.48 0.05 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.05 44.85 1.04 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 122.755 -0.262 . . . . 0.0 111.308 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.57 -108.57 0.18 Allowed Glycine 0 C--N 1.336 0.554 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -134.55 125.16 26.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.83 164.92 32.17 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.37 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -123.28 115.1 21.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.677 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.54 161.07 40.47 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.003 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -28.58 102.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 124.511 3.474 . . . . 0.0 115.13 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -60.03 112.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.364 0.415 . . . . 0.0 110.16 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.27 104.95 0.43 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.25 94.3 0.07 Allowed 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.964 0.412 . . . . 0.0 111.218 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.94 -90.23 0.47 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 93.8 p -100.41 149.88 23.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.919 0.39 . . . . 0.0 111.05 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 45.7 m -111.14 111.09 21.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.324 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.56 101.72 0.86 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.18 100.87 0.2 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.43 132.61 45.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.129 0.49 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.18 -44.94 0.75 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.41 132.19 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.735 0.302 . . . . 0.0 110.37 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 17.4 t -104.78 -62.93 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.218 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.9 91.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.79 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 28.6 t -146.65 139.74 25.48 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.381 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 91.7 p -141.02 147.09 38.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.13 -177.81 1.95 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.947 0.403 . . . . 0.0 111.084 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 66.9 m -144.4 160.35 41.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.641 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.25 133.99 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.579 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -147.13 90.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.012 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.02 60.93 0.2 Allowed Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.752 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.52 104.61 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.279 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.78 141.66 38.78 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.854 0.359 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.72 130.29 21.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.495 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.87 72.9 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.571 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.07 96.54 6.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.646 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 67.3 m -80.28 143.81 33.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.675 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.96 -154.59 22.2 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -127.59 155.07 44.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.973 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 69.6 m -112.85 18.37 18.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.82 -167.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.698 0.285 . . . . 0.0 110.656 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 84.9 p -82.82 157.05 23.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.065 0.459 . . . . 0.0 111.13 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -136.93 130.89 32.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.35 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -149.84 129.21 12.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.765 0.793 . . . . 0.0 110.856 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 23.7 m -55.19 -60.87 2.79 Favored 'General case' 0 CA--C 1.52 -0.202 0 O-C-N 121.195 -0.941 . . . . 0.0 110.133 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -130.57 -97.53 0.34 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.837 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 47.28 49.75 18.71 Favored Glycine 0 C--N 1.348 1.235 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.257 175.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 52.32 -170.42 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 117.419 0.61 . . . . 0.0 110.112 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.02 -54.13 1.06 Allowed Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -161.83 -79.41 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.992 0.425 . . . . 0.0 109.86 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 95.1 p -109.81 152.52 25.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.802 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -135.94 133.4 37.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.418 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.69 150.95 39.52 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.905 0.383 . . . . 0.0 110.724 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.7 -162.76 0.82 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.16 170.59 14.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.631 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.87 19.13 11.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.894 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.81 -90.44 0.09 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.82 135.24 48.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -158.25 -179.88 8.52 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.344 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.57 99.48 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.455 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.49 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.353 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -123.68 140.76 52.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.969 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -58.51 -161.7 0.05 OUTLIER Glycine 0 CA--C 1.526 0.753 0 O-C-N 124.284 0.99 . . . . 0.0 111.515 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -82.88 45.92 1.05 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.985 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.02 -108.61 0.17 Allowed Glycine 0 N--CA 1.472 1.034 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.91 124.69 25.37 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.934 0.873 . . . . 0.0 109.554 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.94 164.56 33.38 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.193 -0.942 . . . . 0.0 111.139 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 66.6 m -123.48 116.4 23.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.4 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.98 161.21 38.87 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.023 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' F' ' 73' ' ' GLN . 94.3 Cg_exo -31.89 107.94 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 123.457 2.772 . . . . 0.0 114.153 -176.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -63.04 114.17 3.54 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.527 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.79 103.79 0.39 Allowed Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 71.15 91.91 0.09 Allowed 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.61 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.14 -89.81 0.43 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 94.4 p -100.58 149.53 23.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.957 0.408 . . . . 0.0 111.06 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 41.6 m -110.75 110.45 21.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.541 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.39 101.77 0.87 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.1 100.36 0.2 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -71.26 132.13 44.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.08 0.467 . . . . 0.0 110.927 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.54 -43.4 0.8 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 169.39 132.57 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.246 0.546 . . . . 0.0 110.115 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 18.8 t -105.07 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.71 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 50.04 91.17 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.765 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.51 139.67 25.62 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.278 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -140.99 147.1 38.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.446 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.24 -177.74 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.002 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 67.1 m -144.13 160.68 40.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.5 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 2.6 t -138.32 133.9 33.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.881 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -146.46 89.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.429 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.77 60.56 0.19 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.681 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -96.23 104.56 16.53 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.191 -0.203 . . . . 0.0 110.646 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.79 141.41 38.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.046 0.45 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.98 130.43 22.48 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.469 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.98 72.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.666 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.575 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.09 96.95 6.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 68.3 m -80.58 144.6 32.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.51 -154.72 23.6 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -127.47 155.09 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.858 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 69.3 m -112.92 18.34 18.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.84 -167.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.794 0.33 . . . . 0.0 110.587 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.85 156.96 23.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -137.01 131.08 32.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.426 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.82 128.45 12.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.765 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 32.3 m -52.19 -63.39 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.896 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 35.3 p -130.56 -98.28 0.33 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.24 55.45 5.82 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.263 -0.494 . . . . 0.0 112.475 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.57 -170.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.48 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.35 -54.63 1.07 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -162.21 -76.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.648 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 97.8 p -110.5 152.82 25.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.407 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -135.95 133.45 37.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.473 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.79 150.9 39.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.69 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.68 -162.74 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.509 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.13 170.72 14.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.709 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -96.03 19.18 12.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.886 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.79 -90.43 0.09 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -129.82 135.17 48.1 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 89.4 p -158.15 -179.76 8.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.27 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.66 99.56 6.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.87 107.46 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.355 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -123.72 141.21 52.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.32 -158.34 0.05 OUTLIER Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.13 44.92 1.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.377 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.54 -108.52 0.18 Allowed Glycine 0 C--N 1.335 0.506 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -134.6 125.27 26.87 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.91 164.86 32.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.371 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -123.27 115.13 21.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.738 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.57 161.02 40.55 Favored Pre-proline 0 C--N 1.327 -0.376 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.042 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -28.44 102.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 124.537 3.491 . . . . 0.0 115.127 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . 0.407 ' HA ' ' HA ' ' E' ' 72' ' ' PRO . 9.6 mp0 -60.12 112.27 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.395 0.434 . . . . 0.0 110.178 178.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.22 105.06 0.42 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.25 94.44 0.07 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.968 0.413 . . . . 0.0 111.138 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.11 -90.25 0.48 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 94.1 p -100.35 149.89 23.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 111.081 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 47.6 m -111.25 111.11 21.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.192 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.52 101.65 0.86 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.22 100.94 0.2 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -71.5 132.66 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.987 0.423 . . . . 0.0 110.921 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.1 -44.78 0.76 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.13 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.693 0.282 . . . . 0.0 110.396 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -104.77 -62.84 1.28 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.189 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 49.83 91.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.68 139.8 25.49 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.368 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -141.03 147.05 38.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.473 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.16 -177.84 1.95 Allowed 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.032 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 66.8 m -144.4 160.35 41.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.589 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.31 134.0 33.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.547 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -147.11 90.9 1.93 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 122.98 60.9 0.2 Allowed Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.766 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.58 104.72 16.77 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.293 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.85 141.62 38.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.877 0.37 . . . . 0.0 111.024 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.66 130.31 21.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.468 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.86 72.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.534 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.63 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.08 97.06 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.527 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -80.68 144.6 32.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.57 -154.78 23.85 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -127.36 155.17 44.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 69.5 m -112.99 18.44 18.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.041 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.68 -167.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.73 0.3 . . . . 0.0 110.624 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 84.8 p -82.84 156.99 23.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.215 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 93.2 m -136.93 130.91 32.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.416 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -149.66 128.41 12.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.715 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 31.5 m -52.26 -63.32 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.889 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 35.4 p -130.55 -98.16 0.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.05 55.57 5.62 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.476 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.55 -170.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.588 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.25 -54.7 1.08 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -162.17 -76.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.752 0.311 . . . . 0.0 110.671 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 97.3 p -110.52 152.89 25.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.358 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 43.7 t -135.99 133.45 37.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.482 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.69 150.97 39.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.74 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.8 -162.74 0.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.509 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.16 170.66 14.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.678 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -96.0 19.2 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.821 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.82 -90.52 0.09 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.75 135.25 48.23 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 89.7 p -158.21 -179.81 8.46 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.395 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.66 99.41 6.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.484 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.83 107.48 19.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.392 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -123.7 141.21 52.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.145 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.29 -158.38 0.05 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.284 -0.727 . . . . 0.0 111.284 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.18 44.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.418 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.51 -108.53 0.18 Allowed Glycine 0 C--N 1.337 0.59 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -134.52 125.01 26.44 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -147.69 164.96 31.91 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.362 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -123.33 115.1 21.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.675 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.46 160.97 41.0 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.08 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -28.47 102.8 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.2 0 C-N-CA 124.521 3.481 . . . . 0.0 115.156 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -59.97 112.19 1.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.417 0.448 . . . . 0.0 110.201 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.3 104.96 0.43 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.26 94.47 0.07 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.933 0.396 . . . . 0.0 111.151 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.1 -90.25 0.48 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 93.8 p -100.39 149.81 23.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 0.0 111.054 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 47.0 m -111.19 111.11 21.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.313 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.53 101.74 0.87 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.22 100.84 0.2 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -71.4 132.64 45.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.049 0.452 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.13 -44.93 0.75 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.37 132.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.795 0.331 . . . . 0.0 110.43 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 17.7 t -104.83 -62.83 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.196 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.92 91.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.72 139.74 25.39 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.311 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -140.99 147.19 38.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.448 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.18 -177.77 1.92 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.047 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 67.1 m -144.49 160.37 41.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.29 133.89 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -147.08 90.86 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.049 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.02 60.93 0.2 Allowed Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.778 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.56 104.75 16.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.276 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.83 141.67 38.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.881 0.372 . . . . 0.0 111.046 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.67 130.35 21.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 40.8 t 54.83 72.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.572 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.562 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.05 97.05 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -80.69 144.62 32.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.555 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.49 -154.76 23.65 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -127.42 155.17 44.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 110.813 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 69.5 m -113.04 18.44 18.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.67 -167.42 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.739 0.304 . . . . 0.0 110.69 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.82 156.98 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.932 0.396 . . . . 0.0 111.284 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 93.0 m -136.95 130.95 32.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.402 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -149.72 128.41 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.746 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 31.3 m -52.34 -63.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.391 -0.523 . . . . 0.0 109.836 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 35.4 p -130.53 -98.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 44.15 55.44 5.75 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 121.254 -0.498 . . . . 0.0 112.48 178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.58 -170.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.576 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.36 -54.62 1.07 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -162.18 -76.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.59 152.87 25.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.337 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -135.92 133.49 37.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -119.76 150.99 39.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.74 -162.81 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.469 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -73.12 170.61 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.698 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -95.98 19.28 11.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.895 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.88 -90.36 0.09 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -129.88 135.17 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 89.3 p -158.2 -179.75 8.41 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.339 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -124.62 99.38 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.476 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.84 107.53 19.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.332 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.1 m -123.79 141.22 52.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.25 -158.34 0.05 OUTLIER Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.13 44.9 1.05 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.441 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.54 -108.69 0.18 Allowed Glycine 0 C--N 1.336 0.542 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -134.47 124.98 26.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -147.68 165.01 31.76 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.337 -0.545 . . . . 0.0 111.274 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 68.1 m -123.34 115.02 20.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.717 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.44 160.99 40.99 Favored Pre-proline 0 C--N 1.326 -0.414 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.068 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -28.6 102.82 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.251 0 C-N-CA 124.516 3.477 . . . . 0.0 115.108 -177.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -59.93 112.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.259 0.349 . . . . 0.0 110.262 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.41 104.91 0.44 Allowed Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.25 94.61 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.946 0.403 . . . . 0.0 111.08 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.22 -90.3 0.49 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 93.9 p -100.27 149.98 23.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.947 0.403 . . . . 0.0 111.04 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 47.6 m -111.32 111.07 21.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.245 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.49 101.81 0.87 Allowed Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.13 100.92 0.2 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -71.54 132.65 44.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.105 0.479 . . . . 0.0 110.966 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.18 -44.87 0.75 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.36 132.2 0.02 OUTLIER 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.743 0.306 . . . . 0.0 110.418 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 17.6 t -104.81 -63.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.155 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 50.0 91.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.811 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 28.4 t -146.71 139.74 25.4 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.366 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 91.1 p -140.93 147.15 38.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.375 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.21 -177.83 1.93 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.116 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 66.4 m -144.4 160.33 41.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.74 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -138.27 133.89 33.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.543 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -147.11 90.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.003 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.05 61.01 0.2 Allowed Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.043 -0.599 . . . . 0.0 111.765 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -97.55 104.73 16.78 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.277 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -138.83 141.73 38.68 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.884 0.373 . . . . 0.0 111.041 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.74 130.45 21.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.4 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 40.9 t 54.74 72.98 0.43 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.606 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.58 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -105.15 97.05 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.528 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 67.9 m -80.78 144.56 32.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.523 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.23 -154.91 23.45 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -127.29 155.19 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 0.0 110.831 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 69.8 m -113.07 18.58 17.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.078 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 49.71 -167.62 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.707 0.289 . . . . 0.0 110.653 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 84.7 p -82.64 157.17 23.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.206 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 92.3 m -137.24 130.97 31.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.482 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -149.59 129.44 13.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.689 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 30.4 m -53.61 -63.27 1.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 34.3 p -130.66 -97.86 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 43.96 55.4 5.62 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 121.249 -0.501 . . . . 0.0 112.412 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 49.65 -170.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.181 0.49 . . . . 0.0 110.448 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.34 -54.77 1.07 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -162.19 -76.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.796 0.331 . . . . 0.0 110.647 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 97.4 p -110.54 152.87 25.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.362 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -136.0 133.53 37.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.445 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -119.75 150.94 39.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.702 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.69 -162.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.525 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 59.7 p -73.21 170.66 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.63 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -95.96 19.15 11.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.77 -90.41 0.09 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -129.89 135.31 48.22 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 89.4 p -158.34 -179.76 8.4 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.223 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -124.71 99.56 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -88.94 107.53 19.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.38 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.1 m -123.53 141.47 51.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.165 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.56 -158.32 0.06 OUTLIER Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -84.21 45.9 1.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 122.816 -0.226 . . . . 0.0 111.163 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.83 -108.54 0.16 Allowed Glycine 0 C--N 1.336 0.568 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 19.5 p -134.41 125.2 27.01 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -148.02 165.0 32.07 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.273 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m -123.48 115.03 20.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.714 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.19 161.06 41.48 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -28.94 103.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 124.543 3.495 . . . . 0.0 114.791 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -60.02 112.77 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.259 0.349 . . . . 0.0 110.217 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.23 105.13 0.42 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 69.27 94.27 0.07 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.045 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.74 -89.86 0.47 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 94.4 p -100.43 149.79 23.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.888 0.375 . . . . 0.0 111.027 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 47.9 m -110.9 110.97 21.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.38 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.36 101.81 0.88 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.21 101.01 0.2 Allowed Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -71.43 132.9 45.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.09 0.471 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.07 -44.67 0.77 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 171.25 132.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.737 0.303 . . . . 0.0 110.445 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 17.5 t -104.8 -62.94 1.27 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.163 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 49.86 91.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.764 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 28.7 t -146.66 140.05 25.7 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.671 -0.411 . . . . 0.0 111.267 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 91.7 p -141.29 146.9 37.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.342 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.14 -177.95 1.98 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.025 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 67.0 m -144.27 160.2 41.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.662 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -137.95 133.75 34.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.601 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -147.3 91.5 1.99 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.072 0.463 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 122.68 61.34 0.21 Allowed Glycine 0 CA--C 1.527 0.804 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.727 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -97.44 104.52 16.55 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.355 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -138.89 141.69 38.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.094 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.71 130.29 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.518 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 41.0 t 54.94 72.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.628 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.473 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -65.78 167.28 9.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.682 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 81.2 p -56.08 93.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.73 172.24 54.89 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -136.51 130.48 32.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.972 0.415 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 t -138.25 139.94 39.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.668 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.24 174.98 6.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -66.74 136.8 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.44 HG23 ' O ' ' B' ' 45' ' ' THR . 42.3 m -123.29 136.56 54.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.305 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.69 163.87 27.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.446 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.1 m -127.31 -51.8 1.4 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.639 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.5 m -136.1 157.41 46.89 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.94 0.4 . . . . 0.0 111.586 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.57 72.76 1.07 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 121.148 -0.548 . . . . 0.0 112.141 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 41.31 81.71 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.518 0.187 . . . . 0.0 111.223 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.05 89.55 0.05 OUTLIER Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.21 83.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.0 110.495 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.6 t -130.44 128.2 40.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.861 0.363 . . . . 0.0 110.916 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.9 m -102.28 146.06 28.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.324 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -121.03 121.43 37.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.488 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.3 p -152.18 25.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.669 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.1 t -60.34 132.43 53.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.561 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -80.75 -27.07 36.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.618 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.42 161.4 54.35 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.9 -173.82 2.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.601 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m 57.48 39.68 27.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.715 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -101.33 99.6 9.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -114.12 121.26 43.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.558 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.2 m -113.72 123.23 49.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.564 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.88 10.39 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.3 -45.43 7.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.022 0.439 . . . . 0.0 110.478 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.53 -135.92 13.13 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.472 ' OG1' HG22 ' B' ' 68' ' ' THR . 59.6 p -121.67 141.39 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.154 0.502 . . . . 0.0 110.489 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.29 163.82 32.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.762 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -136.04 121.24 19.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.452 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.409 ' C ' ' OG1' ' B' ' 71' ' ' THR . 29.9 p -73.24 164.55 60.15 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.415 ' N ' ' OG1' ' B' ' 71' ' ' THR . 42.3 Cg_endo -90.13 106.92 0.36 Allowed 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 123.042 2.495 . . . . 0.0 113.708 -176.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -56.49 113.49 1.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.848 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.67 101.11 2.59 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.575 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.462 ' CE2' HG23 ' A' ' 78' ' ' THR . 0.1 OUTLIER 66.61 69.3 0.42 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.563 0.697 . . . . 0.0 111.41 179.227 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.51 -98.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.6 t -99.51 120.6 39.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.462 HG23 ' CE2' ' A' ' 75' ' ' TYR . 16.9 m -84.91 123.5 30.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.246 0.546 . . . . 0.0 111.031 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.92 101.3 0.25 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.73 100.54 0.43 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -60.92 -165.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.593 0.235 . . . . 0.0 110.756 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.78 -47.71 2.76 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.22 131.04 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.75 0.31 . . . . 0.0 110.44 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -106.71 -65.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.751 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.35 104.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.608 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.9 122.39 34.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.7 m -136.09 116.98 14.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.353 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.06 -171.63 0.45 Allowed 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.867 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.0 p -171.09 163.98 7.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.541 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.45 135.53 5.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.582 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -48.21 -78.77 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.941 0.4 . . . . 0.0 111.703 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.85 79.36 0.06 OUTLIER Glycine 0 CA--C 1.528 0.857 0 C-N-CA 120.764 -0.731 . . . . 0.0 111.655 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.61 173.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.724 0.297 . . . . 0.0 110.64 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -149.67 160.03 43.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.56 117.61 20.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.39 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.1 t 56.39 55.18 6.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.634 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.585 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -65.58 167.33 9.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.707 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 80.9 p -56.2 93.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.034 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.8 172.26 54.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -136.35 130.66 33.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.799 0.333 . . . . 0.0 110.594 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 44.6 t -138.42 139.89 39.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.582 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.15 175.02 6.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.678 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.6 m -66.78 136.81 56.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . 0.445 HG23 ' O ' ' C' ' 45' ' ' THR . 41.3 m -123.13 136.74 54.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.353 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.59 163.33 28.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.635 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.28 -51.87 1.4 Allowed 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.649 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.4 m -135.9 157.98 45.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.102 0.477 . . . . 0.0 111.593 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.71 74.48 0.91 Allowed Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.917 -0.658 . . . . 0.0 111.997 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.6 82.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.625 0.25 . . . . 0.0 111.42 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.19 89.37 0.05 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 65.31 82.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.537 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.46 127.77 39.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.11 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 70.6 m -101.86 146.19 28.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.309 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.01 121.42 37.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.497 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 80.2 p -152.21 25.67 0.62 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -60.32 132.43 53.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.569 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -80.76 -27.17 36.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.53 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.5 161.36 54.35 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.78 -173.7 2.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.679 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.2 m 57.36 39.68 28.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.735 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.34 99.73 10.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.16 121.17 42.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.654 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 85.9 m -113.7 123.33 49.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.616 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.03 130.75 10.34 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.71 -44.8 7.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.81 0.338 . . . . 0.0 110.493 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.1 -136.22 13.34 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.473 ' OG1' HG22 ' C' ' 68' ' ' THR . 56.6 p -121.45 141.45 51.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.853 0.359 . . . . 0.0 110.53 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.24 164.22 31.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.699 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 29.8 t -136.29 120.91 18.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.353 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.425 ' C ' ' OG1' ' C' ' 71' ' ' THR . 30.1 p -73.61 165.25 54.7 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.886 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.42 ' N ' ' OG1' ' C' ' 71' ' ' THR . 41.4 Cg_endo -90.66 104.49 0.29 Allowed 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 123.319 2.679 . . . . 0.0 114.451 -175.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.98 113.12 1.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.011 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.89 101.35 2.62 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.731 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.464 ' CE2' HG23 ' B' ' 78' ' ' THR . 0.1 OUTLIER 66.76 69.4 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.257 0.551 . . . . 0.0 111.179 179.235 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.41 -98.57 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.48 120.4 39.57 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.464 HG23 ' CE2' ' B' ' 75' ' ' TYR . 17.1 m -83.99 123.93 30.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.936 0.398 . . . . 0.0 111.036 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.34 101.2 0.25 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.67 100.74 0.44 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -61.04 -166.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.731 0.3 . . . . 0.0 110.719 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.92 -47.42 2.71 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.17 131.1 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.68 0.276 . . . . 0.0 110.46 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 67.9 m -106.69 -65.17 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.763 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 19.8 tm0? 65.3 104.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.614 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.88 122.3 34.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 70.7 m -135.91 116.94 14.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.381 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.92 -171.56 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.917 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -171.19 163.93 7.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.587 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.38 135.51 5.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.725 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -48.35 -79.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.286 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 79.22 0.06 OUTLIER Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.546 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.56 173.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.715 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.62 160.03 43.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.927 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.58 117.65 20.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.426 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.42 55.1 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.696 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.676 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.72 167.4 9.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 81.0 p -56.17 93.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.981 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.85 172.26 54.98 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -136.37 130.66 33.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.554 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 44.7 t -138.43 139.92 39.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.591 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.09 174.99 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.697 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 67.8 m -66.74 136.75 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . 0.446 HG23 ' O ' ' D' ' 45' ' ' THR . 41.7 m -123.15 136.74 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.257 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.6 163.43 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.768 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 54.6 m -127.46 -51.79 1.38 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.703 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 34.2 m -135.95 157.88 45.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.082 0.468 . . . . 0.0 111.617 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.79 74.41 0.92 Allowed Glycine 0 C--O 1.225 -0.437 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.035 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.71 82.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.507 0.194 . . . . 0.0 111.487 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.28 89.38 0.05 OUTLIER Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 65.39 82.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.562 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 42.2 t -130.41 127.71 39.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -101.8 146.24 28.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.347 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.11 121.43 37.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.479 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 80.2 p -152.16 25.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.603 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -60.32 132.45 53.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.592 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.8 -27.14 36.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.42 161.27 54.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.72 -173.69 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 0.0 110.714 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m 57.38 39.57 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.767 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.25 99.68 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.544 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -114.14 121.15 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.664 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 86.2 m -113.61 123.3 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.626 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.95 130.65 10.31 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -94.69 -44.79 7.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.341 . . . . 0.0 110.542 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.15 -136.28 13.38 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.474 ' OG1' HG22 ' D' ' 68' ' ' THR . 55.9 p -121.46 141.59 50.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.85 0.357 . . . . 0.0 110.54 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -144.32 164.22 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.665 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -136.41 120.86 18.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.252 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.426 ' C ' ' OG1' ' D' ' 71' ' ' THR . 30.2 p -73.58 165.42 53.21 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.902 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . 0.421 ' N ' ' OG1' ' D' ' 71' ' ' THR . 41.2 Cg_endo -90.79 104.27 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 123.27 2.647 . . . . 0.0 114.518 -175.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.74 113.1 1.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.036 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.97 101.54 2.64 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.669 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . 0.465 ' CE2' HG23 ' C' ' 78' ' ' THR . 0.1 OUTLIER 66.71 69.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.252 0.548 . . . . 0.0 111.129 179.182 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.44 -98.53 0.01 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -99.5 120.5 39.73 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.465 HG23 ' CE2' ' C' ' 75' ' ' TYR . 17.4 m -84.09 124.09 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.965 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.44 101.15 0.24 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.75 100.76 0.44 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.96 -166.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.737 0.303 . . . . 0.0 110.773 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.93 -47.44 2.71 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.23 131.23 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.762 0.315 . . . . 0.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 67.0 m -106.73 -65.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.706 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.32 104.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.698 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 8.3 t -126.84 122.34 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.939 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -135.9 116.85 14.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.418 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.88 -171.55 0.46 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.915 -179.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.1 p -171.14 163.86 7.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.61 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.33 135.62 6.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.745 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -48.42 -79.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.39 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.72 79.2 0.06 OUTLIER Glycine 0 CA--C 1.526 0.736 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.515 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.68 173.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.647 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -149.59 160.09 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.65 117.53 20.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.353 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.5 55.08 6.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.655 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.677 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -65.71 167.35 9.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.581 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 81.0 p -56.1 93.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.074 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.63 172.21 54.8 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -136.35 130.62 33.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.494 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -138.41 139.92 39.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.617 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.14 174.97 6.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.731 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 67.2 m -66.74 136.87 56.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . 0.452 HG23 ' O ' ' E' ' 45' ' ' THR . 41.1 m -123.25 136.81 54.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.312 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.61 163.37 28.23 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.702 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 55.1 m -127.48 -51.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.488 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 34.0 m -135.72 158.02 45.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 111.6 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.64 74.48 0.91 Allowed Glycine 0 C--O 1.224 -0.505 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.979 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 39.67 82.14 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.571 0.224 . . . . 0.0 111.418 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.34 89.45 0.06 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.37 82.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 110.509 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.46 127.64 39.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.124 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 70.2 m -101.74 146.22 28.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.322 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.04 121.41 37.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.18 25.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.594 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.23 132.42 53.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.562 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.81 -27.07 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.57 161.34 54.36 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.8 -173.68 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.635 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 50.0 m 57.42 39.6 28.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.764 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -101.3 99.67 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.463 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -114.15 121.21 43.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.673 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -113.72 123.24 49.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.708 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.68 10.32 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.66 -44.8 7.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.342 . . . . 0.0 110.527 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.11 -136.23 13.35 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . 0.474 HG22 ' OG1' ' C' ' 68' ' ' THR . 56.3 p -121.54 141.58 50.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.955 0.407 . . . . 0.0 110.458 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.33 164.14 31.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.628 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.23 120.84 18.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.289 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . 0.428 ' C ' ' OG1' ' E' ' 71' ' ' THR . 30.1 p -73.61 165.42 53.2 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.916 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . 0.424 ' N ' ' OG1' ' E' ' 71' ' ' THR . 41.0 Cg_endo -90.78 104.15 0.28 Allowed 'Trans proline' 0 N--CA 1.489 1.256 0 C-N-CA 123.327 2.685 . . . . 0.0 114.649 -175.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.67 113.06 1.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.127 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.92 101.43 2.63 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.731 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . 0.464 ' CE2' HG23 ' D' ' 78' ' ' THR . 0.1 OUTLIER 66.81 69.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.227 0.537 . . . . 0.0 111.177 179.213 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.37 -98.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 30.3 t -99.44 120.47 39.66 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . 0.464 HG23 ' CE2' ' D' ' 75' ' ' TYR . 16.9 m -83.79 123.94 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.174 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.52 101.23 0.25 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.63 100.84 0.44 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -61.14 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.733 0.301 . . . . 0.0 110.72 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.96 -47.46 2.7 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.21 131.12 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.68 0.276 . . . . 0.0 110.512 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 67.3 m -106.66 -65.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.684 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.38 104.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.614 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.92 122.39 34.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 70.9 m -135.95 116.97 14.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.342 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.02 -171.6 0.45 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.926 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -171.11 163.84 7.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.586 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.32 135.63 6.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.744 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -48.5 -79.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.64 79.21 0.06 OUTLIER Glycine 0 CA--C 1.525 0.704 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.509 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.61 173.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 110.708 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.6 160.07 43.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.898 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.62 117.66 20.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.44 55.07 6.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.699 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.7 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -65.53 167.4 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.704 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 82.5 p -55.52 92.53 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.753 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.28 172.45 54.46 Favored Glycine 0 C--N 1.34 0.751 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -136.36 130.59 33.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.826 0.345 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -138.43 139.9 39.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.627 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.01 175.0 6.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.74 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 67.5 m -66.85 136.9 56.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . 0.452 ' O ' HG23 ' D' ' 45' ' ' THR . 40.6 m -123.31 136.8 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.358 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.34 163.02 28.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.846 0.355 . . . . 0.0 110.686 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 50.8 m -128.06 -49.32 1.33 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 119.024 -1.071 . . . . 0.0 112.89 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 41.7 m -131.52 156.53 45.54 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.9 70.54 1.31 Allowed Glycine 0 C--O 1.223 -0.588 0 C-N-CA 119.25 -1.452 . . . . 0.0 112.284 175.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 40.25 82.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.857 0.329 . . . . 0.0 111.049 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.21 87.85 0.05 OUTLIER Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 65.6 83.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 110.633 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.99 127.63 38.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 71.1 m -101.88 146.63 27.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.996 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.33 121.5 37.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.627 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.2 25.56 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.587 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -60.31 132.44 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.597 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -80.76 -27.06 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.606 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.55 161.3 54.34 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.73 -173.78 2.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.639 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m 57.47 39.66 27.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.724 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.3 99.36 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.594 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -113.79 120.96 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.735 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.64 123.03 48.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.643 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -101.38 130.51 10.26 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.56 -45.56 7.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.74 0.305 . . . . 0.0 110.267 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.62 -135.88 13.1 Favored Glycine 0 N--CA 1.469 0.843 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . 0.473 HG22 ' OG1' ' D' ' 68' ' ' THR . 56.5 p -121.93 141.06 51.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.737 0.303 . . . . 0.0 110.497 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.0 164.25 31.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.693 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -136.34 121.66 19.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.092 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . 0.429 ' C ' ' OG1' ' F' ' 71' ' ' THR . 30.4 p -73.94 165.45 53.19 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.915 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . 0.421 ' N ' ' OG1' ' F' ' 71' ' ' THR . 45.0 Cg_endo -91.6 108.19 0.27 Allowed 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.39 2.06 . . . . 0.0 113.48 -175.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -57.41 114.44 2.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.557 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.77 100.88 2.58 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.813 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . 0.47 ' CE2' HG23 ' E' ' 78' ' ' THR . 0.1 OUTLIER 68.2 67.45 0.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.887 0.375 . . . . 0.0 111.516 178.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.35 -99.32 0.01 OUTLIER Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 30.1 t -99.07 120.74 39.97 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . 0.47 HG23 ' CE2' ' E' ' 75' ' ' TYR . 16.4 m -84.06 123.43 30.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 111.081 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.0 101.48 0.26 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.62 100.55 0.43 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.91 -164.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.795 0.331 . . . . 0.0 110.765 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.85 -44.74 3.01 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 169.18 131.43 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.962 0.411 . . . . 0.0 110.238 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 67.8 m -106.82 -65.17 1.11 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.682 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? 65.42 104.02 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.734 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.53 122.34 34.88 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.771 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -135.97 117.0 14.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.28 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.04 -171.82 0.46 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.888 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 86.4 p -170.16 164.58 9.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.531 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.65 135.97 5.97 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.83 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -49.6 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.533 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.69 76.87 0.07 OUTLIER Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.048 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -49.55 173.22 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.933 0.397 . . . . 0.0 110.749 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.43 160.08 43.74 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.49 117.44 20.51 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.043 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 16.5 t 56.35 55.33 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.811 0.695 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 82.5 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.655 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -65.67 167.3 9.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.716 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 81.0 p -56.02 93.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.73 172.25 54.89 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -136.26 130.57 33.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.752 0.31 . . . . 0.0 110.525 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -138.4 139.95 39.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.597 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.15 174.97 6.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.745 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 67.5 m -66.82 136.82 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . 0.445 HG23 ' O ' ' G' ' 45' ' ' THR . 41.9 m -123.18 136.86 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.291 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.64 163.36 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.754 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.39 -51.87 1.39 Allowed 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.489 -0.485 . . . . 0.0 111.646 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 33.9 m -135.83 158.01 45.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.131 0.491 . . . . 0.0 111.636 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.65 74.64 0.9 Allowed Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.931 -0.652 . . . . 0.0 111.964 178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.4 82.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.656 0.265 . . . . 0.0 111.496 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.28 89.42 0.05 OUTLIER Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 65.45 82.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 0.0 110.628 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.36 127.62 39.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.141 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 70.1 m -101.74 146.24 28.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.332 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.12 121.39 37.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.432 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 80.0 p -152.21 25.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 31.8 t -60.29 132.45 53.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.579 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.77 -27.13 36.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.6 161.25 54.34 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.65 -173.72 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m 57.47 39.6 27.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.33 99.71 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.464 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.12 121.2 43.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.587 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 85.4 m -113.67 123.31 49.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.641 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.02 130.72 10.33 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.69 -44.78 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 0.0 110.487 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.04 -136.36 13.43 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . 0.471 HG22 ' OG1' ' E' ' 68' ' ' THR . 57.3 p -121.38 141.55 50.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.831 0.348 . . . . 0.0 110.61 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -144.29 164.11 31.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.656 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.29 120.89 18.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.306 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . 0.429 ' OG1' ' C ' ' E' ' 71' ' ' THR . 30.3 p -73.58 165.4 53.41 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.895 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . 0.422 ' N ' ' OG1' ' G' ' 71' ' ' THR . 41.0 Cg_endo -90.74 104.22 0.29 Allowed 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 123.268 2.646 . . . . 0.0 114.63 -175.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.59 112.98 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.049 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.96 101.41 2.63 Favored Glycine 0 CA--C 1.523 0.557 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.725 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' F' ' 78' ' ' THR . 0.1 OUTLIER 66.88 69.45 0.4 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.246 0.546 . . . . 0.0 111.042 179.174 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.44 -98.51 0.01 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.49 120.46 39.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . 0.467 HG23 ' CE2' ' F' ' 75' ' ' TYR . 17.2 m -83.96 123.94 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.951 0.405 . . . . 0.0 110.946 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.36 101.2 0.25 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.486 -1.045 . . . . 0.0 110.486 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.64 100.78 0.44 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -60.98 -166.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.798 0.332 . . . . 0.0 110.66 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.87 -47.47 2.73 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.24 131.26 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.761 0.315 . . . . 0.0 110.419 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 67.4 m -106.76 -65.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.696 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.22 104.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.65 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.85 122.38 34.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 70.6 m -135.97 116.96 14.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.353 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.87 -171.55 0.46 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.012 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 85.9 p -171.13 163.83 7.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.591 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.32 135.61 6.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.719 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.51 -79.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.289 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.58 79.12 0.06 OUTLIER Glycine 0 CA--C 1.525 0.713 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.576 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.55 173.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 110.696 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.52 160.14 43.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.969 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.68 117.61 20.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.343 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 16.7 t 56.42 55.13 6.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.714 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.061 -0.971 . . . . 0.0 110.611 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -65.55 167.34 9.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.682 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 81.1 p -56.08 93.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.005 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.87 172.2 55.01 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -136.44 130.62 32.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.559 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 44.7 t -138.35 139.97 39.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.18 175.05 6.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.688 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -66.89 136.86 56.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . 0.446 HG23 ' O ' ' H' ' 45' ' ' THR . 41.6 m -123.18 136.71 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.265 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.63 163.36 28.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.773 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 54.9 m -127.35 -51.88 1.39 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.614 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 33.3 m -135.92 157.96 45.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.095 0.474 . . . . 0.0 111.6 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.71 74.48 0.91 Allowed Glycine 0 C--O 1.224 -0.477 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.004 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.65 82.06 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.528 0.204 . . . . 0.0 111.53 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.27 89.35 0.05 OUTLIER Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.38 82.96 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.318 . . . . 0.0 110.526 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 42.3 t -130.48 127.59 39.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.074 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -101.75 146.33 27.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.278 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.17 121.45 37.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.457 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.28 25.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.567 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 32.0 t -60.31 132.48 54.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.568 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -80.82 -27.08 36.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.601 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.5 161.18 54.31 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -107.65 -173.8 2.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.895 0.378 . . . . 0.0 110.649 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 49.9 m 57.54 39.53 27.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.729 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.21 99.62 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -114.09 121.23 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.646 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.69 123.32 49.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.613 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.0 130.67 10.32 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.6 -44.9 7.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 110.502 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.15 -136.32 13.4 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . 0.47 ' OG1' HG22 ' H' ' 68' ' ' THR . 57.9 p -121.35 141.53 50.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 110.544 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.35 164.2 31.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.648 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.37 120.91 18.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.348 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . 0.427 ' OG1' ' C ' ' F' ' 71' ' ' THR . 30.1 p -73.58 165.43 53.09 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.901 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . 0.42 ' N ' ' OG1' ' H' ' 71' ' ' THR . 41.1 Cg_endo -90.75 104.16 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 123.336 2.69 . . . . 0.0 114.572 -175.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.66 113.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.107 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.92 101.48 2.63 Favored Glycine 0 CA--C 1.523 0.577 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.668 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . 0.468 ' CE2' HG23 ' G' ' 78' ' ' THR . 0.1 OUTLIER 66.78 69.44 0.41 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 111.118 179.19 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.38 -98.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -99.47 120.38 39.53 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . 0.468 HG23 ' CE2' ' G' ' 75' ' ' TYR . 17.4 m -83.91 124.01 30.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.96 0.409 . . . . 0.0 111.016 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.4 101.26 0.25 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.67 100.72 0.44 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -60.94 -166.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.767 0.317 . . . . 0.0 110.69 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.88 -47.46 2.72 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.19 131.13 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.704 0.288 . . . . 0.0 110.493 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 66.6 m -106.72 -65.24 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.31 104.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.664 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.81 122.31 34.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 70.9 m -135.9 116.98 14.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.95 -171.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.888 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -171.15 163.86 7.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.594 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -162.31 135.62 6.12 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.745 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.54 -79.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.327 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.64 79.18 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.493 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.62 173.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.724 0.297 . . . . 0.0 110.691 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.5 160.17 43.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.68 117.6 20.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 16.9 t 56.46 55.07 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.221 -0.399 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.658 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -65.7 167.32 9.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.661 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 81.1 p -56.05 93.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.066 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.83 172.22 54.97 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -136.32 130.7 33.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.767 0.318 . . . . 0.0 110.467 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -138.44 139.96 39.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.584 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.06 175.01 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.663 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -66.89 136.9 56.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . 0.447 HG23 ' O ' ' I' ' 45' ' ' THR . 41.0 m -123.23 136.64 54.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.59 163.29 28.39 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.732 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 54.3 m -127.35 -51.79 1.39 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.451 -0.499 . . . . 0.0 111.715 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 33.7 m -135.88 157.98 45.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.094 0.473 . . . . 0.0 111.612 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.79 74.52 0.91 Allowed Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.975 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 39.66 82.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.613 0.244 . . . . 0.0 111.474 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.33 89.32 0.05 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 65.3 82.99 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 110.567 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -130.52 127.58 39.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.088 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 70.5 m -101.74 146.23 28.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.308 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.15 121.47 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.437 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 80.1 p -152.22 25.58 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.35 132.5 54.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.582 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -80.86 -27.09 36.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.44 161.17 54.3 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.66 -173.81 2.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.748 0.309 . . . . 0.0 110.72 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 50.5 m 57.46 39.73 27.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.687 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.32 99.65 10.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.498 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -114.12 121.24 43.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.637 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 85.8 m -113.69 123.35 49.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.03 130.6 10.29 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -94.65 -44.71 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.557 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.04 -136.36 13.43 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . 0.472 ' OG1' HG22 ' I' ' 68' ' ' THR . 57.3 p -121.39 141.52 50.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.847 0.356 . . . . 0.0 110.587 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.32 164.14 31.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.679 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 29.7 t -136.3 120.93 18.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.303 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . 0.425 ' OG1' ' C ' ' G' ' 71' ' ' THR . 30.3 p -73.73 165.58 51.85 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.832 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . 0.411 ' C ' ' HB3' ' G' ' 72' ' ' PRO . 41.4 Cg_endo -90.81 104.18 0.28 Allowed 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 123.326 2.684 . . . . 0.0 114.539 -175.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -53.64 113.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.108 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.88 101.42 2.62 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.744 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . 0.466 ' CE2' HG23 ' H' ' 78' ' ' THR . 0.1 OUTLIER 66.86 69.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.223 0.535 . . . . 0.0 111.116 179.212 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.41 -98.52 0.01 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 29.9 t -99.43 120.35 39.47 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . 0.466 HG23 ' CE2' ' H' ' 75' ' ' TYR . 17.3 m -83.91 124.17 30.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 111.016 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.52 101.22 0.25 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.68 100.79 0.44 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -60.98 -166.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.826 0.346 . . . . 0.0 110.652 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.93 -47.37 2.71 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.19 131.17 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.762 0.315 . . . . 0.0 110.415 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 67.5 m -106.66 -65.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.699 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? 65.31 104.38 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.691 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.78 122.41 34.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 71.2 m -135.96 116.88 14.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.394 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -175.97 -171.79 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.902 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -170.92 163.97 7.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.618 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -162.35 135.6 6.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.783 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -48.52 -79.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.256 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.6 79.23 0.06 OUTLIER Glycine 0 CA--C 1.526 0.758 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.508 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.57 173.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.694 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.54 160.07 43.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.934 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.58 117.62 20.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.384 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 17.0 t 56.5 55.07 6.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 82.5 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.705 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -65.57 167.3 9.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.706 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 81.2 p -56.11 93.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.986 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.03 172.31 55.11 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -136.27 130.96 33.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.659 0.266 . . . . 0.0 110.513 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 44.4 t -138.65 139.9 38.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.631 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.97 174.96 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.727 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -66.72 137.08 56.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . 0.447 ' O ' HG23 ' H' ' 45' ' ' THR . 39.9 m -123.42 136.65 54.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.92 161.89 31.97 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 53.1 m -126.27 -52.41 1.51 Allowed 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.696 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 34.1 m -135.37 158.03 45.39 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.637 -179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.87 74.5 0.92 Allowed Glycine 0 C--O 1.225 -0.431 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.967 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 39.4 82.7 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.672 0.273 . . . . 0.0 111.44 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.59 89.32 0.06 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 65.05 83.49 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.456 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 42.8 t -131.04 127.44 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.905 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 70.3 m -101.74 146.17 28.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.351 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.03 121.49 38.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.465 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 79.9 p -152.25 25.64 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -60.35 132.43 53.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -80.68 -27.2 37.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.622 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.34 161.2 54.29 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -107.74 -173.8 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.655 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 50.5 m 57.45 39.7 27.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.738 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -101.39 99.73 10.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -114.07 121.43 43.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.648 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 84.9 m -114.03 123.38 49.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.575 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -102.01 130.43 10.23 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -95.1 -44.09 7.81 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.542 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.9 -136.65 13.62 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . 0.472 HG22 ' OG1' ' H' ' 68' ' ' THR . 52.2 p -121.23 141.62 50.7 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.542 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -144.42 164.24 31.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.901 0.381 . . . . 0.0 110.582 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 30.4 t -136.25 121.18 18.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.18 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . 0.412 ' OG1' ' C ' ' H' ' 71' ' ' THR . 31.2 p -73.1 166.67 41.51 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.715 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . 0.402 ' C ' ' HB3' ' H' ' 72' ' ' PRO . 44.8 Cg_endo -91.17 104.79 0.26 Allowed 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 123.282 2.654 . . . . 0.0 114.387 -177.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -53.98 113.53 1.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.046 0.45 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.07 101.49 2.64 Favored Glycine 0 CA--C 1.522 0.503 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.634 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' I' ' 78' ' ' THR . 0.2 OUTLIER 66.98 69.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.028 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.29 -98.26 0.01 OUTLIER Glycine 0 CA--C 1.528 0.863 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 30.3 t -99.37 120.63 39.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . 0.467 HG23 ' CE2' ' I' ' 75' ' ' TYR . 18.6 m -83.51 124.42 30.72 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.001 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.79 101.13 0.24 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 140.72 100.9 0.44 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -61.12 -166.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.957 0.408 . . . . 0.0 110.67 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.98 -47.18 2.69 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 171.15 131.21 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.692 0.282 . . . . 0.0 110.509 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 67.1 m -106.64 -65.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 19.7 tm0? 65.26 104.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 8.4 t -126.85 122.35 34.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 71.0 m -135.85 116.96 14.39 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.303 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.04 -172.45 0.5 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.854 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.0 p -170.32 164.05 8.83 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.618 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 4.4 m -162.03 136.15 6.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.863 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -49.42 -79.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.54 78.99 0.07 OUTLIER Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.434 -0.889 . . . . 0.0 111.416 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -50.44 173.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.82 0.343 . . . . 0.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 pm0 -149.58 160.03 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -129.57 117.64 20.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.385 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 16.6 t 56.37 55.32 6.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.679 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 82.4 t80 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.574 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.54 113.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.7 110.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.611 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.38 120.97 0.12 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -148.89 127.36 12.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 110.479 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.6 t -154.03 139.07 17.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.595 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.1 128.07 11.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.545 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.6 m -130.46 133.66 46.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.699 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.468 HG22 ' OG ' ' A' ' 77' ' ' SER . 25.8 m -136.06 122.84 21.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.318 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -150.08 127.07 11.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.343 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.39 -52.45 9.11 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.637 -179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 p -132.5 -175.53 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.016 0.436 . . . . 0.0 110.987 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.13 68.44 1.65 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' A' ' 58' ' ' TYR . 10.7 m-85 31.98 71.45 0.08 Allowed 'General case' 0 N--CA 1.47 0.55 0 O-C-N 124.146 0.556 . . . . 0.0 112.077 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.7 96.54 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 67.77 87.06 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.859 0.362 . . . . 0.0 110.447 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.9 t -161.87 144.1 11.5 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.782 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.8 p -150.36 164.66 35.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.432 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 42.01 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.483 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.8 m -59.97 -41.01 91.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.599 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m 49.76 61.65 3.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.576 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' A' ' 50' ' ' TYR . 78.8 m-85 -59.96 -39.47 85.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.788 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.18 -150.86 12.03 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.06 27.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.707 0.289 . . . . 0.0 110.807 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.5 t -154.2 -69.15 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.751 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.79 105.06 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.519 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.56 154.59 51.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.003 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.0 m -134.35 133.96 41.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.66 -160.53 0.09 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.15 -52.05 12.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.08 -120.55 4.85 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -135.31 125.34 25.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.921 0.391 . . . . 0.0 110.418 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -150.77 179.49 8.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.072 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -117.06 109.62 17.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.751 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 173.09 6.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.44 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -44.02 172.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 123.044 2.496 . . . . 0.0 113.623 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -102.94 -160.81 0.8 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.751 -1.113 . . . . 0.0 108.588 178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.71 93.14 0.01 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.408 ' CG ' ' HA ' ' B' ' 75' ' ' TYR . 2.4 t80 -178.73 -41.07 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 -179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.02 -159.98 2.53 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.468 ' OG ' HG22 ' A' ' 45' ' ' THR . 27.7 t -97.1 90.92 5.32 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.994 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 66.5 p -65.04 118.84 9.72 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.89 89.93 0.51 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.51 130.3 1.15 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -90.78 53.83 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.053 0.454 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.1 -70.41 0.34 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -159.48 106.88 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.806 0.336 . . . . 0.0 110.477 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -131.95 85.53 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -136.18 143.15 44.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.441 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 p -163.9 -175.92 4.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.04 0.448 . . . . 0.0 111.289 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -144.98 139.36 27.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.731 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.09 -170.56 0.55 Allowed 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.146 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.0 p -170.7 167.11 7.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 111.095 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.32 137.18 51.82 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.371 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -139.95 87.92 2.19 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.202 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.87 59.69 0.22 Allowed Glycine 0 CA--C 1.526 0.753 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.581 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -98.53 116.1 30.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 110.635 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.3 137.11 37.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.804 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.98 119.74 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.48 79.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.599 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.522 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.49 113.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.62 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.66 110.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.35 120.91 0.12 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -148.99 127.07 11.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.557 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -153.87 139.05 17.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.6 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.06 128.01 11.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.498 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 61.7 m -130.27 133.56 46.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . 0.47 HG22 ' OG ' ' B' ' 77' ' ' SER . 25.3 m -135.98 122.81 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.419 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -150.04 127.02 11.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.757 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.4 HG22 ' N ' ' B' ' 48' ' ' SER . 1.0 OUTLIER -77.57 -52.65 8.68 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.59 -179.542 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.4 ' N ' HG22 ' B' ' 47' ' ' THR . 59.7 p -132.4 -175.37 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.097 0.475 . . . . 0.0 110.957 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.64 1.34 Allowed Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 30.66 71.99 0.07 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.965 0.45 . . . . 0.0 112.193 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.08 96.45 0.27 Allowed Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.94 86.89 0.13 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.854 0.359 . . . . 0.0 110.433 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.86 143.82 11.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.816 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 98.4 p -150.2 164.8 34.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.521 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 41.95 30.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.462 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -59.94 -41.07 91.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.578 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m 49.83 61.66 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.522 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -60.0 -39.4 85.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.775 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.25 -150.72 11.86 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.22 27.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.713 0.292 . . . . 0.0 110.79 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 24.1 t -154.32 -68.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.86 105.03 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -135.52 154.92 51.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.013 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 99.2 m -134.54 134.16 41.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.686 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.96 -160.39 0.09 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.21 -51.94 13.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.736 0.303 . . . . 0.0 110.911 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.86 -120.55 4.86 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.37 125.36 25.85 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.596 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.54 -179.97 7.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.427 . . . . 0.0 111.056 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -117.41 109.33 16.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.746 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.83 173.3 6.85 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.341 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -43.82 173.46 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 123.072 2.515 . . . . 0.0 113.557 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' B' ' 75' ' ' TYR . 1.2 tp60 -104.56 -161.6 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.913 -1.04 . . . . 0.0 108.457 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.88 93.17 0.01 OUTLIER Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' C' ' 75' ' ' TYR . 2.4 t80 -178.22 -42.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.983 0.421 . . . . 0.0 110.75 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.46 -159.89 2.91 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.47 ' OG ' HG22 ' B' ' 45' ' ' THR . 27.8 t -97.23 90.62 5.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.69 0.281 . . . . 0.0 110.927 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 65.6 p -64.66 118.94 9.63 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.93 90.18 0.51 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.35 130.31 1.15 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -90.62 54.47 2.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.001 0.429 . . . . 0.0 110.795 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.45 -70.37 0.33 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 25.8 t -159.57 107.09 1.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.848 0.356 . . . . 0.0 110.521 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -132.01 85.51 2.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.354 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.21 142.89 44.12 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.521 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -163.57 -175.81 4.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.071 0.463 . . . . 0.0 111.374 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -145.05 139.04 27.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.762 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.81 -170.45 0.57 Allowed 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.321 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -170.76 166.98 7.82 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.17 137.02 51.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.423 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -140.14 88.67 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.215 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.34 60.04 0.22 Allowed Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.623 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -98.65 116.04 30.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 110.617 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.4 137.05 36.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.93 119.73 21.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.372 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.56 79.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.561 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.56 113.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.568 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.55 110.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.28 120.88 0.12 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -148.88 127.11 12.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 110.646 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 48.1 t -153.89 139.01 17.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.674 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.08 128.04 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.522 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -130.32 133.62 46.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.744 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . 0.467 HG22 ' OG ' ' C' ' 77' ' ' SER . 25.4 m -135.97 122.81 21.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.386 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -150.05 127.14 11.23 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.682 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . 0.4 HG22 ' N ' ' C' ' 48' ' ' SER . 1.0 OUTLIER -77.63 -52.71 8.56 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.612 -179.552 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . 0.4 ' N ' HG22 ' C' ' 47' ' ' THR . 59.9 p -132.37 -175.37 3.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.078 0.466 . . . . 0.0 110.998 -179.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.59 1.35 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . 0.411 ' CZ ' ' OH ' ' C' ' 58' ' ' TYR . 10.2 m-85 30.67 71.92 0.07 Allowed 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.08 96.49 0.27 Allowed Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.92 86.86 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 0.0 110.453 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -161.83 143.85 11.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 100.0 p -150.13 164.78 34.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.39 41.94 30.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.442 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 74.2 m -59.89 -41.03 90.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.654 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 53.3 m 49.73 61.69 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.565 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . 0.411 ' OH ' ' CZ ' ' C' ' 50' ' ' TYR . 78.6 m-85 -59.93 -39.58 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.735 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.38 -150.69 11.74 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.26 27.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 110.794 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 24.3 t -154.32 -69.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.745 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.82 104.98 7.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.501 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.52 155.01 51.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 111.047 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 99.0 m -134.46 134.23 41.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.98 -160.33 0.09 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.32 -51.94 13.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.684 0.278 . . . . 0.0 110.927 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.92 -120.64 4.89 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -135.34 125.39 25.94 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.565 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.65 -179.97 7.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 111.044 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 97.3 p -117.39 109.43 16.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.713 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.87 173.34 6.8 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.316 -179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -43.88 173.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 123.066 2.511 . . . . 0.0 113.523 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' C' ' 75' ' ' TYR . 1.2 tp60 -104.7 -161.64 0.83 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.375 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.96 93.15 0.01 OUTLIER Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . 0.414 ' CG ' ' HA ' ' D' ' 75' ' ' TYR . 2.4 t80 -178.18 -41.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 110.753 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.28 -159.79 2.8 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.659 -0.977 . . . . 0.0 110.659 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . 0.467 ' OG ' HG22 ' C' ' 45' ' ' THR . 27.8 t -97.24 90.66 5.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.683 0.278 . . . . 0.0 110.934 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 64.5 p -64.74 118.85 9.55 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.86 90.29 0.52 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.28 130.31 1.15 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -90.7 54.47 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.916 0.388 . . . . 0.0 110.707 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.39 -70.24 0.33 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 25.8 t -159.63 107.13 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 110.462 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -132.1 85.55 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.25 142.79 44.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.519 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 16.2 p -163.52 -175.82 4.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.008 0.432 . . . . 0.0 111.411 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 66.9 m -145.03 139.01 27.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.718 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.78 -170.48 0.58 Allowed 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.348 -179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 86.8 p -170.77 166.9 7.8 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.814 0.34 . . . . 0.0 111.079 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.13 137.01 51.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.419 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.11 88.69 2.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.265 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.3 60.09 0.23 Allowed Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.619 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -98.6 116.02 29.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.733 0.301 . . . . 0.0 110.642 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.36 137.08 36.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 119.77 21.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.64 78.98 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.571 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.61 113.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.532 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.53 110.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.614 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.34 120.88 0.12 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -149.02 127.07 11.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.811 0.339 . . . . 0.0 110.566 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -153.86 139.07 17.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.646 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -151.11 128.0 11.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.564 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 63.1 m -130.29 133.58 46.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.808 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . 0.47 HG22 ' OG ' ' D' ' 77' ' ' SER . 25.1 m -136.01 122.86 21.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.462 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -150.07 127.01 11.12 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . 0.401 HG22 ' N ' ' D' ' 48' ' ' SER . 1.0 OUTLIER -77.48 -52.78 8.52 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.629 -179.662 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . 0.401 ' N ' HG22 ' D' ' 47' ' ' THR . 59.6 p -132.21 -175.32 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.97 0.414 . . . . 0.0 111.11 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.79 69.71 1.32 Allowed Glycine 0 C--O 1.224 -0.483 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . 0.411 ' CZ ' ' OH ' ' D' ' 58' ' ' TYR . 10.2 m-85 30.57 72.14 0.06 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 179.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.24 96.47 0.28 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.88 86.91 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.92 0.39 . . . . 0.0 110.434 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.87 143.85 11.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 97.2 p -150.17 164.75 34.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.557 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.38 41.93 30.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.477 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 73.9 m -59.88 -41.12 90.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.592 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 52.7 m 49.88 61.67 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.512 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . 0.411 ' OH ' ' CZ ' ' D' ' 50' ' ' TYR . 78.8 m-85 -59.94 -39.59 86.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.38 -150.72 11.77 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.725 0.298 . . . . 0.0 110.778 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 24.4 t -154.29 -69.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.796 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.82 105.01 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.464 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.46 155.03 51.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 111.033 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -134.54 134.13 41.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.758 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.82 -160.37 0.09 OUTLIER Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.31 -51.87 13.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.735 0.302 . . . . 0.0 111.03 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.9 -120.6 4.88 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.39 125.42 25.94 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.596 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.7 179.97 7.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.952 0.406 . . . . 0.0 111.026 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -117.36 109.44 16.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.682 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.96 173.39 6.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.31 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -43.81 173.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 123.06 2.507 . . . . 0.0 113.504 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' D' ' 75' ' ' TYR . 1.2 tp60 -104.71 -161.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.341 178.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.95 93.05 0.01 OUTLIER Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . 0.423 ' CG ' ' HA ' ' E' ' 75' ' ' TYR . 2.4 t80 -178.07 -41.94 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.939 0.399 . . . . 0.0 110.754 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.34 -159.91 2.81 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . 0.47 ' OG ' HG22 ' D' ' 45' ' ' THR . 27.6 t -97.2 90.77 5.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.737 0.304 . . . . 0.0 110.951 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . . . . . . . . . 65.8 p -64.62 118.83 9.44 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.886 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.89 90.17 0.51 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.34 130.4 1.16 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -90.72 54.57 2.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.983 0.42 . . . . 0.0 110.74 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.46 -70.26 0.33 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 25.1 t -159.7 107.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.438 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.13 85.43 2.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.348 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.13 142.84 44.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.61 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -163.58 -175.92 4.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.002 0.43 . . . . 0.0 111.367 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -144.94 139.08 27.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.77 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.82 -170.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.345 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -170.7 166.97 7.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.14 136.92 51.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.398 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -140.1 88.77 2.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.235 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.28 60.12 0.23 Allowed Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.017 -0.611 . . . . 0.0 111.667 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -98.64 115.97 29.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.738 0.304 . . . . 0.0 110.697 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.32 137.03 37.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.95 119.84 21.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 33.4 t 58.52 79.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.542 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.531 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 8.5 t80 63.48 113.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.25 111.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.596 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.0 121.09 0.11 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -149.01 127.08 11.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.764 0.316 . . . . 0.0 110.562 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -153.92 139.07 17.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.632 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.09 128.02 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.507 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 61.8 m -130.28 133.59 46.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.803 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . 0.47 HG22 ' OG ' ' E' ' 77' ' ' SER . 25.3 m -136.02 122.74 21.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.46 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -149.94 127.96 11.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . 0.424 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -81.1 -49.39 10.92 Favored 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 119.11 -1.036 . . . . 0.0 111.888 -178.34 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . 0.424 ' N ' HG22 ' E' ' 47' ' ' THR . 57.0 p -130.93 -175.38 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.066 0.46 . . . . 0.0 111.59 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 69.07 70.64 1.12 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 177.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' E' ' 49' ' ' GLY . 10.9 m-85 27.11 76.64 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.323 0.649 . . . . 0.0 110.953 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.61 93.89 0.27 Allowed Glycine 0 CA--C 1.518 0.259 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 68.97 87.16 0.12 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.919 0.39 . . . . 0.0 110.343 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 15.6 t -162.0 143.86 11.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 99.6 p -149.95 165.14 33.54 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.373 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.17 41.9 31.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 110.427 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 74.1 m -59.83 -41.18 90.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.623 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 53.7 m 49.91 61.68 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' E' ' 50' ' ' TYR . 78.6 m-85 -59.99 -39.59 86.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.725 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.41 -150.6 11.65 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.33 26.96 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.718 0.294 . . . . 0.0 110.755 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 23.9 t -154.27 -69.09 0.14 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.78 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.68 104.2 6.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.694 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -134.98 155.1 51.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.944 0.402 . . . . 0.0 111.019 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 99.3 m -134.57 134.01 40.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.597 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.96 -161.98 0.1 OUTLIER Glycine 0 CA--C 1.524 0.656 0 O-C-N 124.621 1.2 . . . . 0.0 111.03 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.44 -52.36 10.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.641 0.258 . . . . 0.0 110.922 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.14 -120.27 4.75 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -135.8 125.13 24.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.124 0.964 . . . . 0.0 110.795 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -151.09 179.39 8.31 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.297 -0.877 . . . . 0.0 110.755 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 94.5 p -117.71 111.63 19.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.43 173.27 6.44 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 125.02 1.45 . . . . 0.0 109.771 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -44.53 174.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.504 2.104 0 C-N-CA 122.902 2.401 . . . . 0.0 113.474 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' E' ' 75' ' ' TYR . 1.2 tp60 -104.51 -161.24 0.81 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.607 -1.178 . . . . 0.0 108.468 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.67 91.82 0.01 OUTLIER Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . 0.423 ' HA ' ' CG ' ' D' ' 75' ' ' TYR . 2.4 t80 -177.54 -41.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.361 . . . . 0.0 111.09 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.99 -159.66 2.61 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . 0.47 ' OG ' HG22 ' E' ' 45' ' ' THR . 28.2 t -96.89 89.8 5.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.432 0.158 . . . . 0.0 111.164 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . . . . . . . . . 59.6 p -64.39 119.38 10.24 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.52 89.31 0.49 Allowed Glycine 0 CA--C 1.541 1.684 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.297 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.28 129.54 1.08 Allowed Glycine 0 C--N 1.343 0.933 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -90.34 56.48 3.38 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.677 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . -120.6 -69.88 0.29 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 25.6 t -159.86 107.06 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -131.67 84.48 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.07 0.856 . . . . 0.0 110.275 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -135.63 142.3 45.2 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.68 0.276 . . . . 0.0 110.492 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 16.9 p -163.17 -176.49 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.048 0.452 . . . . 0.0 111.391 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 66.6 m -144.61 139.12 27.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.716 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.86 -170.49 0.57 Allowed 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 121.448 0.642 . . . . 0.0 111.321 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 88.6 p -169.7 168.34 9.08 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.834 -0.542 . . . . 0.0 111.078 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.69 136.94 51.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.759 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -139.46 88.45 2.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.489 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.38 59.82 0.22 Allowed Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.566 -0.613 . . . . 0.0 111.566 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -96.49 115.56 27.64 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 122.992 -0.122 . . . . 0.0 111.157 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.28 137.1 37.14 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.828 179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.44 119.68 21.95 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.196 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 33.2 t 58.61 79.14 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.723 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.608 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.56 113.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.62 110.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.584 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.25 120.94 0.11 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -148.93 127.06 12.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.727 0.298 . . . . 0.0 110.59 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 47.9 t -153.92 139.02 17.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -151.08 128.08 11.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.523 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 62.3 m -130.36 133.62 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.753 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . 0.468 HG22 ' OG ' ' F' ' 77' ' ' SER . 25.4 m -136.16 122.91 21.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.41 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -150.03 127.18 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.718 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . 0.403 HG22 ' N ' ' F' ' 48' ' ' SER . 1.0 OUTLIER -77.61 -52.78 8.46 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.595 -179.62 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . 0.403 ' N ' HG22 ' F' ' 47' ' ' THR . 59.7 p -132.24 -175.43 3.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.028 0.442 . . . . 0.0 111.042 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.98 69.87 1.29 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . 0.41 ' CZ ' ' OH ' ' F' ' 58' ' ' TYR . 10.2 m-85 30.37 72.02 0.06 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.13 96.42 0.27 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.9 86.86 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.907 0.384 . . . . 0.0 110.425 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 15.5 t -161.79 143.8 11.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.799 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 98.5 p -150.13 164.79 34.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.35 42.03 30.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.457 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -59.91 -41.04 90.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.662 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 52.9 m 49.73 61.73 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.521 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . 0.41 ' OH ' ' CZ ' ' F' ' 50' ' ' TYR . 78.6 m-85 -59.97 -39.55 86.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.747 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.34 -150.69 11.77 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.07 0.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.71 0.29 . . . . 0.0 110.758 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 24.0 t -154.34 -69.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.78 105.02 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.474 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.57 155.1 51.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.918 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -134.63 134.16 40.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.662 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.88 -160.34 0.09 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.38 -51.85 14.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.65 0.262 . . . . 0.0 110.962 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.88 -120.63 4.89 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 19.1 p -135.44 125.41 25.83 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.632 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -150.66 -179.96 7.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 111.026 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 97.4 p -117.32 109.41 16.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.683 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.97 173.37 6.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.327 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -43.8 173.6 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 123.088 2.525 . . . . 0.0 113.474 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' F' ' 75' ' ' TYR . 1.2 tp60 -104.71 -161.67 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.355 178.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.89 93.13 0.01 OUTLIER Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . 0.417 ' CG ' ' HA ' ' G' ' 75' ' ' TYR . 2.4 t80 -178.21 -41.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 110.683 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.33 -159.87 2.81 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . 0.468 ' OG ' HG22 ' F' ' 45' ' ' THR . 27.9 t -97.23 90.66 5.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.693 0.282 . . . . 0.0 110.886 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . . . . . . . . . 65.2 p -64.66 118.91 9.58 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.86 90.12 0.51 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.36 130.36 1.16 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -90.63 54.51 2.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.921 0.391 . . . . 0.0 110.756 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.4 -70.28 0.33 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 25.6 t -159.59 107.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.831 0.348 . . . . 0.0 110.514 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.08 85.5 2.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.383 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.24 142.72 44.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.588 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 16.1 p -163.45 -175.86 4.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.017 0.437 . . . . 0.0 111.449 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 66.9 m -145.0 139.09 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.686 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.77 -170.49 0.58 Allowed 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.31 -179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -170.79 166.93 7.76 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.05 136.97 51.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.46 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.14 88.73 2.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.247 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.29 60.12 0.23 Allowed Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.61 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -98.63 115.94 29.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.741 0.305 . . . . 0.0 110.635 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.35 137.04 36.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.822 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.89 119.68 21.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.479 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.58 79.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.562 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.537 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 8.5 t80 63.53 113.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.54 110.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.617 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.25 120.95 0.11 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -148.95 127.1 12.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.54 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -153.92 139.07 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.572 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -151.13 128.06 11.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.428 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 62.4 m -130.35 133.61 46.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.745 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . 0.469 HG22 ' OG ' ' G' ' 77' ' ' SER . 25.3 m -135.98 122.82 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.4 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -150.05 127.06 11.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.705 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . 0.405 HG22 ' N ' ' G' ' 48' ' ' SER . 1.0 OUTLIER -77.55 -52.81 8.43 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.554 -179.563 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . 0.405 ' N ' HG22 ' G' ' 47' ' ' THR . 59.7 p -132.2 -175.33 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.0 0.429 . . . . 0.0 111.135 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.84 69.75 1.31 Allowed Glycine 0 C--O 1.224 -0.514 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' G' ' 58' ' ' TYR . 10.2 m-85 30.64 71.89 0.07 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.13 96.43 0.27 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.92 86.89 0.13 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.86 0.362 . . . . 0.0 110.448 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 15.4 t -161.85 143.7 11.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 97.5 p -150.07 164.73 34.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.543 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.34 42.0 30.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.481 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 73.9 m -59.89 -41.01 90.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.636 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 53.1 m 49.82 61.69 3.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.485 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' G' ' 50' ' ' TYR . 79.0 m-85 -59.99 -39.47 85.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.804 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.32 -150.7 11.79 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.35 27.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.689 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 24.1 t -154.34 -69.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.85 105.04 7.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.473 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.59 155.03 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.387 . . . . 0.0 110.954 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 99.1 m -134.5 134.17 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.704 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.85 -160.34 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.4 -51.92 14.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.682 0.277 . . . . 0.0 110.905 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.88 -120.61 4.88 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.37 125.31 25.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.653 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -150.59 -179.93 7.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.009 0.433 . . . . 0.0 111.067 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -117.5 109.42 16.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.702 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.91 173.34 6.78 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.299 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -43.87 173.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 123.102 2.535 . . . . 0.0 113.47 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' G' ' 75' ' ' TYR . 1.2 tp60 -104.59 -161.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.422 178.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.83 93.02 0.01 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . 0.417 ' HA ' ' CG ' ' F' ' 75' ' ' TYR . 2.4 t80 -178.03 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.983 0.421 . . . . 0.0 110.74 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.3 -159.86 2.79 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . 0.469 ' OG ' HG22 ' G' ' 45' ' ' THR . 27.8 t -97.29 90.68 5.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.731 0.3 . . . . 0.0 110.915 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . . . . . . . . . 64.9 p -64.67 118.92 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.93 90.21 0.52 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.36 130.36 1.16 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -90.59 54.4 2.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.935 0.398 . . . . 0.0 110.783 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.37 -70.27 0.33 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 25.3 t -159.62 107.15 1.72 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.808 0.337 . . . . 0.0 110.473 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 12.0 p -132.12 85.51 2.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.15 142.82 44.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.612 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -163.52 -175.89 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.075 0.464 . . . . 0.0 111.374 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -144.94 139.12 27.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.724 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.87 -170.55 0.57 Allowed 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.287 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -170.69 166.96 7.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.857 0.361 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.12 136.94 51.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.415 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -140.12 88.85 2.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.196 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.17 60.06 0.23 Allowed Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.736 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -98.57 116.03 29.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.709 0.29 . . . . 0.0 110.646 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.46 137.13 36.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.9 0.381 . . . . 0.0 110.771 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 119.76 21.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.394 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.54 79.1 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.62 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.567 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 8.4 t80 63.6 113.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.71 110.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.511 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.37 120.89 0.12 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -148.99 127.07 11.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -153.8 139.05 17.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.605 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.13 128.1 11.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.529 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -130.36 133.7 46.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.705 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . 0.468 HG22 ' OG ' ' H' ' 77' ' ' SER . 25.4 m -136.07 122.76 21.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.366 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -149.95 127.23 11.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.68 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . 0.402 HG22 ' N ' ' H' ' 48' ' ' SER . 1.0 OUTLIER -77.65 -52.81 8.38 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.55 -179.639 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . 0.402 ' N ' HG22 ' H' ' 47' ' ' THR . 59.8 p -132.26 -175.45 3.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.039 0.447 . . . . 0.0 111.008 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.91 69.72 1.32 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . 0.409 ' CZ ' ' OH ' ' H' ' 58' ' ' TYR . 10.4 m-85 30.59 71.94 0.07 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.02 96.45 0.27 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 67.87 86.84 0.13 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.912 0.387 . . . . 0.0 110.424 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 15.7 t -161.77 143.69 11.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 97.6 p -150.05 164.79 34.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.508 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.39 41.95 30.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.473 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -59.9 -41.01 90.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.619 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 52.8 m 49.71 61.7 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.518 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . 0.409 ' OH ' ' CZ ' ' H' ' 50' ' ' TYR . 78.7 m-85 -60.0 -39.43 85.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.28 -150.7 11.82 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.33 27.16 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.698 0.285 . . . . 0.0 110.744 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 24.2 t -154.38 -69.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.806 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.77 104.97 7.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.5 155.0 51.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 111.01 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 99.6 m -134.61 134.22 41.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.71 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.91 -160.3 0.09 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.28 -52.01 13.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.657 0.265 . . . . 0.0 110.9 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.89 -120.68 4.91 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 19.3 p -135.33 125.3 25.8 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.587 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -150.58 -180.0 7.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.992 0.425 . . . . 0.0 111.028 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 96.9 p -117.38 109.52 16.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.682 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.01 173.38 6.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.317 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -43.88 173.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 123.094 2.529 . . . . 0.0 113.467 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' H' ' 75' ' ' TYR . 1.2 tp60 -104.74 -161.61 0.83 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.393 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.02 93.18 0.01 OUTLIER Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . 0.417 ' HA ' ' CG ' ' G' ' 75' ' ' TYR . 2.4 t80 -178.04 -42.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.001 0.429 . . . . 0.0 110.707 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.47 -159.79 2.96 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . 0.468 ' OG ' HG22 ' H' ' 45' ' ' THR . 27.8 t -97.31 90.61 5.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.656 0.265 . . . . 0.0 110.909 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -64.57 119.0 9.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.94 90.25 0.52 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.29 130.39 1.16 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -90.74 54.57 2.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.895 0.379 . . . . 0.0 110.677 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.45 -70.27 0.33 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 25.0 t -159.56 107.11 1.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.443 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 12.2 p -132.03 85.51 2.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.378 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -136.22 142.77 44.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.5 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 16.4 p -163.48 -175.93 4.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.031 0.443 . . . . 0.0 111.429 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 67.2 m -144.9 139.11 27.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.734 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.84 -170.66 0.58 Allowed 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.324 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 86.6 p -170.55 167.01 8.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.85 0.357 . . . . 0.0 111.088 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -128.15 137.02 51.91 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.393 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -140.16 88.92 2.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.188 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 121.1 60.18 0.23 Allowed Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.69 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -98.61 116.0 29.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.683 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.41 137.05 36.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.99 119.82 21.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.59 79.06 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.562 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 23.4 t80 . . . . . 0 C--O 1.221 -0.404 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.516 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 8.5 t80 63.52 113.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.611 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.55 110.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.67 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.4 120.89 0.12 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -149.04 127.0 11.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.603 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 48.2 t -153.78 139.01 17.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.597 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -151.12 127.99 10.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.538 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 62.2 m -130.26 133.57 46.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.734 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . 0.467 HG22 ' OG ' ' I' ' 77' ' ' SER . 24.7 m -136.09 122.78 21.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.462 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -149.77 128.39 12.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.683 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -52.61 7.94 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.249 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 60.3 p -132.53 -175.38 3.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.987 0.422 . . . . 0.0 111.032 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.02 69.62 1.34 Allowed Glycine 0 C--O 1.224 -0.512 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . 0.408 ' CZ ' ' OH ' ' I' ' 58' ' ' TYR . 10.2 m-85 30.51 73.28 0.05 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.896 0.409 . . . . 0.0 111.974 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.32 96.39 0.33 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 67.81 86.56 0.13 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.818 0.342 . . . . 0.0 110.452 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 16.2 t -161.56 143.82 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.784 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 98.1 p -150.13 164.85 34.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.456 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 55.28 42.13 30.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.457 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -60.05 -41.1 91.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.566 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 52.3 m 49.76 61.65 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.594 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . 0.408 ' OH ' ' CZ ' ' I' ' 50' ' ' TYR . 78.8 m-85 -59.95 -39.45 85.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.748 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.25 -150.71 11.84 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -158.27 27.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.686 0.279 . . . . 0.0 110.744 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 24.0 t -154.2 -69.15 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.378 . . . . 0.0 110.79 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -131.83 105.07 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.549 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -135.73 155.14 50.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 110.796 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 99.6 m -134.45 134.48 41.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.694 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.21 -160.11 0.1 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -46.53 -51.65 15.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.431 0.157 . . . . 0.0 110.853 -179.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.7 -120.82 4.97 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 19.5 p -135.09 126.49 28.49 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.475 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -151.87 179.83 8.1 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.744 -0.383 . . . . 0.0 110.875 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 97.2 p -117.3 109.99 17.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.622 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.35 173.06 7.01 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.197 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -44.3 174.22 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.957 2.438 . . . . 0.0 113.421 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' I' ' 75' ' ' TYR . 1.2 tp60 -104.65 -161.43 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.127 -0.942 . . . . 0.0 108.56 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.87 93.25 0.01 OUTLIER Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' I' ' 73' ' ' GLN . 2.5 t80 -177.68 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.014 0.435 . . . . 0.0 110.444 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . 53.24 -159.23 3.89 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . 0.467 ' OG ' HG22 ' I' ' 45' ' ' THR . 27.6 t -97.91 90.49 4.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.617 0.246 . . . . 0.0 110.724 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . . . . . . . . . 62.6 p -64.27 118.94 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.81 90.34 0.52 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.25 130.51 1.17 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -90.75 55.19 2.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.337 . . . . 0.0 110.61 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . -119.73 -70.12 0.32 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 24.3 t -159.76 107.18 1.69 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 0.0 110.429 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 12.1 p -132.03 85.66 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.272 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -136.24 142.59 44.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.528 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 16.5 p -163.44 -176.57 4.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.386 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 66.7 m -144.24 139.12 28.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.809 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.04 -171.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.291 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 86.5 p -169.8 167.13 9.44 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.935 0.398 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -127.96 136.84 51.87 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.517 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -140.37 89.47 2.29 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.051 0.453 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.7 60.61 0.24 Allowed Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.67 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -98.56 115.83 29.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.727 0.299 . . . . 0.0 110.724 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -138.39 137.05 36.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.787 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.85 119.77 21.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.381 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 33.3 t 58.54 79.05 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.64 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.59 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -112.67 128.19 56.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -129.25 101.9 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.55 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.76 135.48 12.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -130.76 144.1 51.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.771 0.32 . . . . 0.0 110.647 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m 51.24 48.56 22.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.622 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -85.82 113.3 21.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -141.08 143.88 34.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.523 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -144.65 143.31 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.779 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -146.88 146.72 30.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.045 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.99 -52.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.659 -0.417 . . . . 0.0 111.186 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.1 t -134.57 129.45 35.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.677 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.98 76.23 0.87 Allowed Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.282 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 31.28 69.9 0.09 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.05 0.5 . . . . 0.0 112.217 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.65 95.22 0.45 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 67.2 94.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.849 0.357 . . . . 0.0 110.445 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -159.11 160.1 35.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.239 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.8 m -133.41 138.89 46.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.809 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 48.78 29.73 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.791 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.36 152.58 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.349 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.4 m 49.16 38.11 12.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -62.61 134.21 56.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.676 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.22 -177.44 38.26 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.52 -35.0 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 110.41 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.9 m -128.46 148.13 50.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.411 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.81 55.87 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.54 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.47 113.02 24.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.633 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.2 m -119.92 131.85 55.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.603 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.04 -161.39 0.19 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.94 -51.7 12.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.935 0.398 . . . . 0.0 111.132 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.39 -119.88 4.59 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.7 p -116.75 110.56 18.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.034 0.445 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.87 160.26 41.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.36 122.89 42.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.571 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.525 HG22 ' CD ' ' A' ' 72' ' ' PRO . 0.0 OUTLIER -79.71 170.47 15.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.914 179.783 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.525 ' CD ' HG22 ' A' ' 71' ' ' THR . 51.6 Cg_exo -53.39 106.24 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.323 2.015 . . . . 0.0 112.974 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -69.18 113.47 6.56 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.46 -85.63 0.39 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -116.27 108.05 15.62 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.275 0.559 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.54 -86.1 0.02 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.85 173.82 14.77 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.513 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.435 ' OG1' HG22 ' B' ' 78' ' ' THR . 80.9 p -136.35 166.88 22.43 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.467 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.11 -134.83 1.61 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.05 -93.61 2.22 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -49.08 165.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 83' ' ' SER . . . 79.94 59.86 2.53 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 82' ' ' GLY . 68.2 m -22.72 126.12 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 124.619 0.835 . . . . 0.0 112.146 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.402 ' CB ' HG21 ' A' ' 78' ' ' THR . 60.8 p -103.06 107.48 18.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.114 -178.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.26 103.03 9.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.992 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.2 m -140.39 156.99 46.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.021 0.438 . . . . 0.0 111.245 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.88 134.83 33.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.016 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.5 -176.25 5.66 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.955 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.6 p -169.09 160.52 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.6 t -164.06 144.2 8.16 Favored 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -145.93 73.08 1.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.257 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.29 53.03 0.09 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -97.36 112.17 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.712 0.291 . . . . 0.0 110.801 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.85 120.59 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.552 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.42 131.74 42.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.429 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.8 m 56.25 49.48 15.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.515 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.55 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.71 128.29 56.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.481 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 62.0 m -129.34 101.9 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.52 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.74 135.45 12.8 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.72 144.34 51.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 110.58 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m 51.07 48.49 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.682 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -85.82 113.34 21.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.403 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.92 143.77 34.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.672 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.59 142.98 30.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.788 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -146.47 146.33 30.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.266 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.05 -52.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.34 129.87 36.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.615 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' B' ' 50' ' ' TYR . . . 109.21 78.89 1.07 Allowed Glycine 0 C--O 1.222 -0.61 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.854 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' B' ' 49' ' ' GLY . 9.4 m-85 28.41 70.61 0.06 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 95.29 0.47 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.24 94.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.362 . . . . 0.0 110.46 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.2 p -159.24 160.0 34.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 59.0 m -133.41 138.92 46.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.689 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.815 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.24 152.65 44.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.34 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.16 38.13 12.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.62 134.21 56.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.711 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.13 -177.08 37.95 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.9 -35.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.322 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 63.9 m -128.54 148.05 50.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.375 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.92 55.83 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.517 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.55 113.09 24.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.613 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.0 m -119.87 131.93 55.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.07 -161.22 0.19 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -51.67 13.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.715 0.293 . . . . 0.0 111.056 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.45 -119.92 4.6 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.61 110.4 18.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.515 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.74 160.37 40.85 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 74.8 m -119.37 122.89 42.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.604 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.529 HG22 ' CD ' ' B' ' 72' ' ' PRO . 0.0 OUTLIER -79.75 170.25 16.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.902 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.529 ' CD ' HG22 ' B' ' 71' ' ' THR . 53.0 Cg_exo -53.4 104.44 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.417 2.078 . . . . 0.0 113.249 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -67.21 113.75 5.4 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.5 -85.65 0.39 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.03 108.12 15.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.967 0.413 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.77 -85.67 0.03 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.76 174.16 14.33 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.507 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.436 ' OG1' HG22 ' C' ' 78' ' ' THR . 81.6 p -136.43 167.47 21.28 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.398 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.64 -134.77 1.8 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.02 -93.61 2.22 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.02 164.92 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' B' ' 83' ' ' SER . . . 79.71 60.51 2.45 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . 0.422 ' C ' ' O ' ' B' ' 82' ' ' GLY . 68.2 m -23.35 126.25 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 O-C-N 124.53 0.782 . . . . 0.0 112.114 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.402 ' CB ' HG21 ' B' ' 78' ' ' THR . 60.6 p -103.13 107.55 18.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.071 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.23 102.99 9.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.949 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 63.7 m -140.28 157.06 46.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.96 0.41 . . . . 0.0 111.226 -179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.89 134.79 33.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.041 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.45 -176.26 5.68 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.052 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -169.01 160.39 9.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.559 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 38.1 t -163.93 144.22 8.36 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.209 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.17 74.68 1.38 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.062 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.74 52.98 0.08 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.33 112.05 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.801 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.81 120.7 31.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.544 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.53 131.72 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.383 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 61.2 m 56.17 49.56 15.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.557 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.5 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.74 128.29 56.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.455 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 61.9 m -129.33 101.9 6.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.572 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.77 135.43 12.78 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.71 144.31 51.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.715 0.293 . . . . 0.0 110.607 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m 51.07 48.61 22.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.646 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -85.89 113.3 21.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.443 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.92 143.76 34.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.587 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.63 142.95 30.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.744 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -146.42 146.31 30.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.249 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.1 -52.64 1.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.208 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -134.33 129.95 36.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.624 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' C' ' 50' ' ' TYR . . . 109.14 79.03 1.09 Allowed Glycine 0 C--O 1.222 -0.601 0 C-N-CA 120.346 -0.93 . . . . 0.0 111.887 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' C' ' 49' ' ' GLY . 9.4 m-85 28.28 70.65 0.06 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 178.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.91 95.15 0.47 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.31 94.57 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 110.374 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -159.23 160.0 34.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.287 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 58.6 m -133.38 138.89 46.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.798 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.86 29.63 2.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.771 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.23 152.56 44.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.391 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 49.7 m 49.21 38.14 12.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -62.69 134.27 56.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.696 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.1 -176.98 37.86 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -135.94 -35.11 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.355 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 63.4 m -128.48 148.15 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.385 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.8 55.86 8.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.553 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.53 113.08 24.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.641 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -119.77 131.98 55.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.26 -161.19 0.2 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -51.61 13.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.745 0.307 . . . . 0.0 111.099 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.45 -119.89 4.59 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.65 110.39 18.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.493 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -143.76 160.39 40.82 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.41 122.84 42.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . 0.528 HG22 ' CD ' ' C' ' 72' ' ' PRO . 0.0 OUTLIER -79.68 170.27 16.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.926 179.776 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . 0.528 ' CD ' HG22 ' C' ' 71' ' ' THR . 52.8 Cg_exo -53.5 104.21 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.469 2.113 . . . . 0.0 113.286 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.94 113.75 5.21 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.307 0.379 . . . . 0.0 110.121 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.65 -85.83 0.39 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.02 108.35 16.11 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.985 0.422 . . . . 0.0 110.747 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.86 -85.67 0.03 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.71 174.21 14.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.53 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.436 HG22 ' OG1' ' B' ' 78' ' ' THR . 81.5 p -136.45 167.54 21.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.64 -134.76 1.8 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.04 -93.52 2.22 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.13 164.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' C' ' 83' ' ' SER . . . 79.68 60.68 2.42 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.094 -1.203 . . . . 0.0 110.094 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . 0.423 ' C ' ' O ' ' C' ' 82' ' ' GLY . 68.6 m -23.48 126.26 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.675 0 O-C-N 124.492 0.76 . . . . 0.0 112.072 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . 0.404 ' CB ' HG21 ' C' ' 78' ' ' THR . 60.4 p -103.14 107.59 18.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.074 -178.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -117.33 102.92 9.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.971 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 63.3 m -140.14 157.01 46.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 111.302 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.85 134.93 33.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.986 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.5 -176.32 5.7 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.996 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 90.2 p -168.91 160.53 10.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 38.2 t -163.99 144.21 8.27 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.276 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.25 74.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.779 -0.368 . . . . 0.0 111.043 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.67 53.02 0.08 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.32 112.07 24.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 110.849 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.92 120.62 30.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.499 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.5 131.7 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.415 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m 56.21 49.58 15.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.513 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.587 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.67 128.24 56.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.546 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 61.8 m -129.32 101.89 6.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.636 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.78 135.34 12.71 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -130.61 144.34 51.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.315 . . . . 0.0 110.516 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m 51.04 48.59 22.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.696 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -85.9 113.36 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.365 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -140.96 143.71 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.627 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -144.57 142.95 30.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -146.42 146.31 30.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.189 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.01 -52.96 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.13 130.03 36.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.67 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 109.16 78.92 1.08 Allowed Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.326 -0.94 . . . . 0.0 111.886 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' E' ' 49' ' ' GLY . 9.4 m-85 28.36 70.67 0.06 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.97 95.18 0.47 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.35 94.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.458 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 86.7 p -159.22 159.97 34.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 59.2 m -133.39 138.99 46.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.74 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.87 29.54 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.789 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 83.7 p -69.2 152.58 44.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.415 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.19 38.17 12.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.72 134.26 56.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.679 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -176.92 37.81 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -136.0 -35.15 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.905 0.383 . . . . 0.0 110.335 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 63.7 m -128.43 148.17 50.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.452 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.78 55.8 8.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.582 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.45 113.19 25.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.687 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -120.02 131.96 55.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.07 -161.22 0.19 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.14 -51.63 13.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.655 0.264 . . . . 0.0 111.059 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.43 -119.85 4.58 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -116.65 110.31 18.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.557 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.7 160.4 40.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.924 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.42 122.86 42.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . 0.527 HG22 ' CD ' ' D' ' 72' ' ' PRO . 0.0 OUTLIER -79.73 170.31 16.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.901 179.75 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . 0.527 ' CD ' HG22 ' D' ' 71' ' ' THR . 52.7 Cg_exo -53.5 104.07 0.1 OUTLIER 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.548 2.165 . . . . 0.0 113.343 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.77 113.71 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.328 0.393 . . . . 0.0 110.187 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.56 -85.79 0.39 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.09 108.13 15.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.97 0.414 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.65 -85.69 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 88.5 p -160.7 174.19 14.32 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 122.421 -0.458 . . . . 0.0 111.633 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . 0.44 ' OG1' HG22 ' E' ' 78' ' ' THR . 81.1 p -136.36 167.39 21.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.749 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.56 -135.02 1.81 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.536 -1.025 . . . . 0.0 110.536 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -101.83 -93.87 2.21 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -48.83 165.0 0.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' D' ' 83' ' ' SER . . . 79.62 60.71 2.42 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . 0.424 ' C ' ' O ' ' D' ' 82' ' ' GLY . 67.8 m -23.48 126.23 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 O-C-N 124.547 0.793 . . . . 0.0 112.151 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . 0.403 ' CB ' HG21 ' D' ' 78' ' ' THR . 60.3 p -103.15 107.52 18.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.016 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -117.33 102.99 9.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.944 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 64.2 m -140.3 156.97 46.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.005 0.431 . . . . 0.0 111.271 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 42.5 t -138.75 134.89 34.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.983 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.49 -176.25 5.67 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.101 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 90.5 p -168.96 160.43 10.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.522 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 37.9 t -163.94 144.29 8.37 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.185 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -146.31 75.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.988 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 53.0 0.08 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.31 112.1 24.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.727 0.298 . . . . 0.0 110.79 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.91 120.64 30.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.479 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.48 131.75 42.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.409 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 60.8 m 56.19 49.59 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.52 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.592 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.72 127.9 56.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 60.2 m -128.83 101.37 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.796 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.57 135.5 12.85 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.69 144.32 51.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 110.621 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 48.8 m 51.08 48.55 22.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.625 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -85.88 113.07 21.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.466 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 48.1 t -140.44 143.71 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.44 143.24 30.8 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.824 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -146.05 146.54 30.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.367 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . 0.417 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -122.8 -50.47 1.95 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 119.455 -0.898 . . . . 0.0 112.179 178.035 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . 0.417 ' N ' HG22 ' E' ' 47' ' ' THR . 35.6 t -131.17 128.3 39.75 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.88 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 111.84 72.1 0.63 Allowed Glycine 0 C--O 1.216 -0.972 0 C-N-CA 117.872 -2.108 . . . . 0.0 113.327 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' E' ' 49' ' ' GLY . 10.3 m-85 28.27 75.5 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.382 0.61 . . . . 0.0 111.065 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.6 92.85 0.53 Allowed Glycine 0 CA--C 1.519 0.322 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 68.27 94.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.371 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -159.3 160.0 34.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 59.3 m -133.24 139.27 46.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.57 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.76 29.46 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.699 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.25 152.55 44.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.365 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 50.3 m 49.23 38.12 12.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.541 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.68 134.27 56.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.672 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.14 -177.04 37.93 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.92 -35.13 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.378 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 62.8 m -128.5 148.1 50.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.395 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 52.35 56.73 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.414 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -95.13 113.62 25.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.488 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -120.15 131.79 55.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.447 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.57 -162.22 0.19 Allowed Glycine 0 CA--C 1.526 0.758 0 O-C-N 123.973 0.796 . . . . 0.0 111.211 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.52 -51.92 11.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.7 0.286 . . . . 0.0 111.087 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.31 -119.74 4.55 Favored Glycine 0 N--CA 1.466 0.673 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.81 109.96 17.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.785 0.326 . . . . 0.0 110.544 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.55 160.5 40.51 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.806 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 75.6 m -119.76 123.73 44.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.42 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . 0.522 HG22 ' CD ' ' E' ' 72' ' ' PRO . 0.0 OUTLIER -80.4 170.11 17.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 O-C-N 124.216 0.948 . . . . 0.0 109.675 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . 0.522 ' CD ' HG22 ' E' ' 71' ' ' THR . 51.3 Cg_exo -54.77 108.06 0.27 Allowed 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.534 1.489 . . . . 0.0 112.36 -177.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -69.3 114.56 7.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.841 178.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.92 -85.85 0.39 Allowed Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -115.58 106.11 13.55 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.603 0.239 . . . . 0.0 111.362 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.74 -84.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.671 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -161.18 174.27 13.89 Favored 'General case' 0 CA--C 1.527 0.058 0 CA-C-N 117.266 0.533 . . . . 0.0 111.471 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . 0.44 HG22 ' OG1' ' D' ' 78' ' ' THR . 81.5 p -136.46 167.05 22.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.55 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.72 -133.63 1.63 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -103.34 -91.82 2.21 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.208 -0.996 . . . . 0.0 111.53 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -50.09 164.14 0.12 Allowed 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.321 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' E' ' 83' ' ' SER . . . 84.74 53.96 3.06 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 118.396 -1.859 . . . . 0.0 110.584 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . 0.441 ' C ' ' O ' ' E' ' 82' ' ' GLY . 66.9 m -20.79 125.95 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 O-C-N 124.148 0.557 . . . . 0.0 112.368 -177.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . 0.405 ' CB ' HG21 ' E' ' 78' ' ' THR . 58.5 p -103.14 106.21 16.68 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.77 -177.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -116.44 101.98 9.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.332 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 64.3 m -140.04 156.73 46.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.935 0.397 . . . . 0.0 111.084 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 42.9 t -138.78 134.8 33.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.037 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.53 -176.31 5.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.065 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 90.8 p -168.6 160.37 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.465 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 38.3 t -162.96 144.62 10.02 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.307 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.09 74.83 1.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.273 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.98 52.54 0.08 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -96.25 111.93 23.83 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.984 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.83 120.7 31.22 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.18 0.3 . . . . 0.0 110.537 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.2 131.65 42.37 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.465 0.478 . . . . 0.0 110.07 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 62.1 m 56.38 49.5 14.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.67 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.542 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.69 128.26 56.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 61.6 m -129.34 101.92 6.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.569 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.8 135.51 12.83 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.76 144.34 51.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.738 0.304 . . . . 0.0 110.568 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m 51.01 48.61 22.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.635 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -85.87 113.36 21.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.461 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -140.98 143.79 34.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.622 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.63 142.97 30.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -146.38 146.32 30.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.265 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.05 -52.78 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.13 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 40.7 t -134.26 129.75 36.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.625 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' E' ' 50' ' ' TYR . . . 109.3 79.16 1.09 Allowed Glycine 0 CA--C 1.523 0.539 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.928 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' F' ' 49' ' ' GLY . 9.4 m-85 28.01 70.86 0.06 Allowed 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 178.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.02 95.21 0.48 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.24 94.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 110.417 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 86.2 p -159.19 159.94 34.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -133.32 138.92 46.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.81 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -69.25 152.6 44.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.363 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 50.0 m 49.25 38.11 12.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.493 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.69 134.26 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.658 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -177.02 37.9 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -136.0 -35.1 0.78 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.881 0.372 . . . . 0.0 110.377 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 62.5 m -128.39 148.14 50.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.456 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.86 55.87 8.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.527 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.6 113.11 24.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 95.3 m -119.81 132.07 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.494 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.24 -161.12 0.19 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -51.75 13.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.727 0.298 . . . . 0.0 111.08 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.6 -119.95 4.6 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.6 110.45 18.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.775 0.322 . . . . 0.0 110.519 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.74 160.43 40.73 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.938 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.5 122.85 42.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.562 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . 0.523 HG22 ' CD ' ' F' ' 72' ' ' PRO . 0.0 OUTLIER -79.67 170.36 16.27 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.819 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . 0.523 ' CD ' HG22 ' F' ' 71' ' ' THR . 52.6 Cg_exo -53.48 104.18 0.1 Allowed 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.491 2.127 . . . . 0.0 113.294 -178.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -66.86 113.68 5.11 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.237 0.335 . . . . 0.0 110.114 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.59 -85.94 0.39 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.51 108.08 15.99 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.863 0.363 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.86 -85.58 0.03 OUTLIER Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.77 174.18 14.29 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.498 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . 0.439 ' OG1' HG22 ' G' ' 78' ' ' THR . 81.4 p -136.46 167.56 21.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.451 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.73 -134.71 1.82 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.05 -93.59 2.22 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -48.95 164.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' F' ' 83' ' ' SER . . . 79.58 60.66 2.44 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . 0.426 ' C ' ' O ' ' F' ' 82' ' ' GLY . 68.9 m -23.49 126.28 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.54 0.788 . . . . 0.0 112.097 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . 0.405 ' CB ' HG21 ' F' ' 78' ' ' THR . 60.7 p -103.07 107.53 18.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.153 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.33 102.93 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.952 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 63.6 m -140.23 157.02 46.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.03 0.443 . . . . 0.0 111.292 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.79 134.89 34.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.996 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.48 -176.2 5.64 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.027 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 89.4 p -169.03 160.41 9.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.568 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 38.3 t -163.83 144.26 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.292 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.24 74.98 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.976 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.56 52.92 0.08 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.31 112.06 24.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.806 0.336 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.87 120.61 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.527 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.48 131.71 41.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.39 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 61.7 m 56.27 49.55 15.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.509 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.581 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -112.65 128.24 56.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 62.5 m -129.31 101.97 6.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.585 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.88 135.55 12.86 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.72 144.31 51.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.562 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m 51.03 48.46 23.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.75 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -85.81 113.29 21.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.45 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -140.89 143.72 34.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.602 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -144.57 142.99 30.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.837 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -146.45 146.28 30.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.256 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.01 -52.76 1.97 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.179 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 41.1 t -134.28 129.89 36.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.613 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' G' ' 50' ' ' TYR . . . 109.14 78.97 1.08 Allowed Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.945 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' G' ' 49' ' ' GLY . 9.4 m-85 28.39 70.68 0.06 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.9 95.15 0.47 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 67.25 94.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -159.2 159.98 34.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.232 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 58.6 m -133.38 138.97 46.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.79 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 48.79 29.61 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.818 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.26 152.56 44.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m 49.21 38.2 12.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.518 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.71 134.22 55.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.72 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.08 -176.96 37.83 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.94 -35.21 0.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.916 0.388 . . . . 0.0 110.345 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 62.7 m -128.39 148.1 50.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.463 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.8 55.86 8.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.48 113.08 24.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.695 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 95.2 m -119.82 131.97 55.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.21 -161.18 0.19 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.09 -51.75 13.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.727 0.298 . . . . 0.0 111.027 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.54 -119.91 4.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 16.1 p -116.64 110.41 18.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.73 160.5 40.61 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.92 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.47 122.86 42.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.536 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . 0.521 HG22 ' CD ' ' G' ' 72' ' ' PRO . 0.0 OUTLIER -79.72 170.27 16.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.904 179.764 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . 0.521 ' CD ' HG22 ' G' ' 71' ' ' THR . 52.8 Cg_exo -53.41 104.1 0.1 OUTLIER 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 122.449 2.099 . . . . 0.0 113.35 -178.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -66.9 113.8 5.23 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.281 0.363 . . . . 0.0 110.08 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.64 -85.73 0.39 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -116.06 108.21 15.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.72 -85.71 0.03 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 88.6 p -160.74 174.26 14.19 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.521 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . 0.44 ' OG1' HG22 ' H' ' 78' ' ' THR . 81.7 p -136.5 167.62 21.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.438 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.7 -134.82 1.83 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.01 -93.54 2.21 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.0 164.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' G' ' 83' ' ' SER . . . 79.74 60.57 2.43 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -179.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . 0.428 ' C ' ' O ' ' G' ' 82' ' ' GLY . 68.2 m -23.36 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.473 0.749 . . . . 0.0 112.102 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . 0.405 ' CB ' HG21 ' G' ' 78' ' ' THR . 59.9 p -103.25 107.57 18.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.079 -178.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.32 102.97 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.931 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 64.4 m -140.21 156.95 46.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.942 0.401 . . . . 0.0 111.263 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.75 134.84 34.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.069 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.45 -176.2 5.64 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.136 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -169.04 160.45 9.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.592 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 37.7 t -163.92 144.21 8.37 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.216 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -146.21 75.08 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.974 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.52 53.0 0.08 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -97.36 112.13 24.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 110.78 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.9 120.57 30.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.511 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.42 131.77 42.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.424 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 62.0 m 56.25 49.49 15.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.538 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.563 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -112.67 128.15 56.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 62.3 m -129.28 101.94 6.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.524 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.88 135.51 12.83 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -130.71 144.39 51.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.502 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 49.0 m 50.97 48.53 22.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -85.91 113.32 21.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -140.91 143.71 34.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.604 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 9.2 t -144.51 142.9 30.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.819 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -146.41 146.28 30.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.307 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -122.13 -52.67 1.96 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 40.8 t -134.32 129.9 36.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.661 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' H' ' 50' ' ' TYR . . . 109.21 78.92 1.07 Allowed Glycine 0 CA--C 1.524 0.632 0 C-N-CA 120.373 -0.918 . . . . 0.0 111.939 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' H' ' 49' ' ' GLY . 9.5 m-85 28.3 70.71 0.06 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.93 95.24 0.47 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 67.22 94.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.93 0.395 . . . . 0.0 110.395 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 86.4 p -159.21 159.98 34.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.262 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -133.33 138.94 46.58 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.797 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 48.76 29.65 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.83 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.27 152.52 44.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.443 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 49.9 m 49.21 38.26 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.541 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.8 134.27 56.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.11 -177.02 37.89 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.96 -35.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.941 0.401 . . . . 0.0 110.384 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 62.8 m -128.43 148.16 50.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.405 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 52.83 55.8 8.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.554 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.51 113.08 24.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.677 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 95.6 m -119.84 132.04 55.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.595 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.24 -161.11 0.19 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.1 -51.76 13.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.792 0.33 . . . . 0.0 111.043 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.49 -119.97 4.61 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -116.64 110.3 18.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.71 160.48 40.63 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 75.0 m -119.41 122.89 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.521 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . 0.52 HG22 ' CD ' ' H' ' 72' ' ' PRO . 0.0 OUTLIER -79.77 170.22 16.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.876 179.781 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . 0.52 ' CD ' HG22 ' H' ' 71' ' ' THR . 53.0 Cg_exo -53.44 104.19 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.477 2.118 . . . . 0.0 113.218 -178.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -66.93 113.75 5.2 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.264 0.353 . . . . 0.0 110.14 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.68 -85.83 0.39 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.9 108.27 16.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.87 0.366 . . . . 0.0 110.78 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.95 -85.44 0.03 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 88.5 p -160.87 174.24 14.15 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.461 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . 0.44 HG22 ' OG1' ' G' ' 78' ' ' THR . 81.6 p -136.49 167.6 21.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.436 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -81.71 -134.75 1.82 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.02 -93.66 2.22 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -49.06 164.84 0.06 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' H' ' 83' ' ' SER . . . 79.8 60.49 2.44 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . 0.427 ' C ' ' O ' ' H' ' 82' ' ' GLY . 68.7 m -23.43 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 O-C-N 124.509 0.77 . . . . 0.0 112.074 -179.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . 0.405 ' CB ' HG21 ' H' ' 78' ' ' THR . 60.0 p -103.16 107.53 18.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.079 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -117.28 102.99 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.0 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 63.3 m -140.25 157.0 46.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.013 0.435 . . . . 0.0 111.23 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 42.7 t -138.83 134.79 33.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.054 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.46 -176.29 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.076 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 90.0 p -168.94 160.43 10.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.576 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 38.2 t -163.89 144.26 8.45 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.306 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -146.29 75.19 1.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.015 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.37 52.97 0.08 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -97.27 112.03 24.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.725 0.297 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -125.84 120.63 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.515 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.47 131.76 42.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 61.3 m 56.19 49.55 15.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.552 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.546 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -112.65 128.21 56.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.535 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 61.5 m -129.28 101.86 6.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.522 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -111.83 135.52 12.84 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -130.61 144.57 51.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.747 0.308 . . . . 0.0 110.509 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m 50.85 48.49 22.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.681 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -85.86 113.34 21.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.426 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 47.6 t -140.97 143.51 34.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.598 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 8.9 t -144.49 142.7 30.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -146.48 145.39 30.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.376 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -121.43 -53.04 2.02 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 42.1 t -133.99 130.16 37.21 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.614 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 109.18 78.92 1.08 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.87 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' I' ' 49' ' ' GLY . 9.3 m-85 28.14 72.18 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.16 95.24 0.57 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 67.27 94.07 0.07 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.888 0.375 . . . . 0.0 110.52 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 86.5 p -158.75 160.12 35.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 59.2 m -133.42 138.96 46.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.773 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 48.77 29.6 2.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.827 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 83.8 p -69.24 152.62 44.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.371 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 50.1 m 49.18 38.19 12.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.526 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -62.66 134.28 56.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.26 -176.94 37.92 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -135.96 -35.06 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.373 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 63.3 m -128.4 148.16 50.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.43 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 52.8 55.83 8.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.591 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -94.55 113.12 24.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 95.8 m -119.73 132.13 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.37 -161.04 0.2 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.27 -51.56 14.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.569 0.223 . . . . 0.0 110.982 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.39 -120.14 4.68 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 16.5 p -116.45 110.43 18.62 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.492 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.87 160.48 40.71 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.767 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -119.4 123.33 43.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.453 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . 0.527 HG22 ' HD2' ' I' ' 72' ' ' PRO . 0.0 OUTLIER -80.1 170.22 16.69 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.713 179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . 0.527 ' HD2' HG22 ' I' ' 71' ' ' THR . 53.2 Cg_exo -53.58 104.32 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 122.57 2.18 . . . . 0.0 112.976 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -66.96 114.29 5.65 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.48 -85.87 0.39 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -115.7 108.54 16.5 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.77 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -55.85 -85.15 0.03 OUTLIER Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 89.4 p -160.96 174.22 14.12 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.052 0.453 . . . . 0.0 111.496 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . 0.438 HG22 ' OG1' ' H' ' 78' ' ' THR . 82.4 p -136.2 168.35 19.56 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.48 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -82.18 -134.27 1.9 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -102.38 -92.85 2.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -49.91 164.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' I' ' 83' ' ' SER . . . 79.92 60.61 2.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . 0.422 ' C ' ' O ' ' I' ' 82' ' ' GLY . 69.2 m -23.34 126.36 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 O-C-N 124.531 0.783 . . . . 0.0 112.121 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . 0.41 ' CB ' HG21 ' I' ' 78' ' ' THR . 59.9 p -103.04 107.47 18.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.124 -178.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -117.24 102.85 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.05 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 63.8 m -140.21 156.91 46.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.976 0.417 . . . . 0.0 111.275 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 42.6 t -138.67 134.83 34.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.046 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -159.62 -176.93 6.03 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.041 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 89.6 p -168.29 160.56 11.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.644 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 38.5 t -163.89 144.61 8.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.957 0.408 . . . . 0.0 111.302 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -146.71 76.36 1.43 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 178.55 52.98 0.07 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -97.25 111.9 23.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.813 0.34 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -125.88 120.59 30.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.572 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.39 131.75 42.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.407 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 61.4 m 56.22 49.54 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.51 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 t80 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.602 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.44 114.64 28.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.495 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -142.55 100.74 3.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.647 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.99 166.01 29.85 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -150.95 161.62 42.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 0.0 110.598 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 65.0 m -124.2 150.66 44.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.523 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.66 -170.56 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.0 p -78.61 160.63 27.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.051 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.6 t -144.35 138.98 28.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.657 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -150.71 129.04 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.274 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.12 -52.57 7.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.973 0.416 . . . . 0.0 111.467 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.3 t -132.1 -160.3 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.117 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.94 51.96 31.33 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.456 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 54.74 -175.38 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.908 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.88 -59.95 0.81 Allowed Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.148 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.63 -70.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.659 0.266 . . . . 0.0 111.157 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.0 t -109.67 147.71 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.748 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.44 134.25 32.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.662 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.74 152.98 43.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.44 -167.25 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.627 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.35 153.67 28.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -74.29 -33.54 63.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.414 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.1 -169.6 42.39 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.36 135.11 52.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.682 0.277 . . . . 0.0 110.425 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -161.9 -169.56 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.934 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.13 115.3 19.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.368 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -94.28 101.98 13.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.64 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 94.8 m -121.94 130.44 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.19 -159.44 0.06 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.85 43.16 0.48 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.84 -112.29 0.56 Allowed Glycine 0 C--N 1.338 0.687 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.5 p -130.69 123.81 30.17 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -147.73 168.27 22.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.36 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -133.76 116.18 15.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.87 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.91 162.69 48.98 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -27.83 104.63 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.14 0 C-N-CA 124.394 3.396 . . . . 0.0 114.814 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -61.45 111.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.535 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.58 105.5 0.37 Allowed Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.6 t80 69.86 92.67 0.08 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.172 0.511 . . . . 0.0 111.318 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.79 -94.17 0.36 Allowed Glycine 0 CA--C 1.526 0.749 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.404 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.8 155.18 18.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 111.018 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.425 HG21 ' OH ' ' B' ' 75' ' ' TYR . 11.9 m -119.93 108.6 14.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.444 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.57 113.33 2.17 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.0 92.73 0.36 Allowed Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -58.86 -166.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.66 0.267 . . . . 0.0 110.585 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.54 -46.8 2.56 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.22 127.49 0.02 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.811 0.338 . . . . 0.0 110.647 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.7 m -148.79 97.87 2.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.114 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.96 120.57 31.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.697 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.5 t -138.69 154.06 48.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.001 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.1 p -138.57 146.32 41.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.099 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -174.27 -172.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.005 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.5 t -172.41 160.64 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.63 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.6 t -163.01 143.82 9.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.973 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -145.95 79.72 1.56 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.024 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 164.29 55.41 0.02 OUTLIER Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -97.99 116.77 30.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.758 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.57 132.78 42.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.736 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.84 125.44 25.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.665 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 72.3 m 51.93 34.42 13.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.735 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.613 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.26 114.61 28.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.561 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 42.7 t -142.58 100.68 3.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.666 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.95 166.05 29.83 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -150.92 161.57 42.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.818 0.342 . . . . 0.0 110.615 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 66.0 m -124.17 150.68 44.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.501 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.56 -170.4 3.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.585 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 96.5 p -78.86 160.65 27.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 12.9 t -144.33 139.13 28.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.681 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -150.92 129.02 11.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.586 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.31 -52.77 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.376 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.79 -159.77 0.99 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.109 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.35 53.48 25.1 Favored Glycine 0 C--O 1.223 -0.586 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.25 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.13 -175.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.133 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.78 -60.02 0.81 Allowed Glycine 0 CA--C 1.521 0.466 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.061 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -151.64 -70.89 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.734 0.302 . . . . 0.0 111.109 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -109.48 147.66 32.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.7 t -139.41 134.26 32.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.619 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.8 153.04 43.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.49 -167.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.608 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.5 p -80.41 153.61 28.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -74.33 -33.52 63.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.414 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.01 -169.58 42.51 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.46 135.21 52.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 110.333 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 91.6 p -161.78 -169.02 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.03 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.68 115.32 19.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.251 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.38 102.01 13.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.9 m -121.79 130.8 53.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.59 -159.35 0.07 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.86 44.09 0.53 Allowed 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.21 -112.17 0.48 Allowed Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 71.4 p -130.66 123.66 29.88 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.58 168.75 21.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.136 0.493 . . . . 0.0 111.259 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 40.5 t -134.05 116.09 15.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.823 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.1 162.55 48.9 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.351 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -27.6 102.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.194 0 C-N-CA 124.713 3.609 . . . . 0.0 115.1 -178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -59.18 111.97 1.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.931 0.396 . . . . 0.0 110.02 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.23 106.07 0.33 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.425 ' OH ' HG21 ' A' ' 78' ' ' THR . 1.6 t80 69.81 92.66 0.08 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.914 0.388 . . . . 0.0 111.219 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.66 -94.19 0.35 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 85.6 p -91.6 155.23 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 111.094 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.424 HG21 ' OH ' ' C' ' 75' ' ' TYR . 12.2 m -119.65 108.48 14.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.5 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.39 113.24 2.16 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.21 92.7 0.35 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -58.99 -166.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.742 0.306 . . . . 0.0 110.583 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.78 -46.6 2.51 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.1 127.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.801 0.334 . . . . 0.0 110.671 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.79 97.82 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.105 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -125.01 120.16 30.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.347 . . . . 0.0 110.695 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 27.2 t -138.13 154.17 49.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.065 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.54 146.22 41.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.169 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.15 -172.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.089 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.4 160.54 4.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.592 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 30.5 t -162.97 143.81 9.57 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.216 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -146.04 80.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.966 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.42 55.52 0.02 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.93 116.63 30.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.728 0.299 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.59 132.87 42.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.734 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.9 125.4 25.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.689 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m 51.9 34.44 13.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.53 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.36 114.59 28.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.609 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -142.46 100.74 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.99 166.06 29.85 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -150.96 161.62 42.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.613 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 66.4 m -124.26 150.59 45.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.551 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.5 -170.39 3.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 96.3 p -78.91 160.63 27.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 12.9 t -144.26 139.08 28.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.687 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.9 129.0 11.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.581 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.28 -52.62 7.12 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.834 -0.347 . . . . 0.0 111.518 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.91 -159.77 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.105 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.21 53.53 25.41 Favored Glycine 0 C--O 1.223 -0.579 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.27 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.17 -176.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.162 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.62 -59.97 0.82 Allowed Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.074 -179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -151.69 -70.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.154 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -109.51 147.71 32.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.46 134.26 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.641 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -124.76 152.95 43.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.48 -167.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.626 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 88.0 p -80.42 153.66 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -74.28 -33.61 63.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.468 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.08 -169.59 42.41 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.4 135.22 52.84 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.395 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -161.76 -169.0 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.69 115.28 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.335 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.46 102.1 14.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.589 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 96.2 m -121.72 130.88 53.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.49 -159.25 0.07 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.96 44.08 0.54 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.15 -112.15 0.48 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 69.4 p -130.75 123.63 29.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.5 168.81 20.96 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.321 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.08 116.16 15.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.811 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.07 162.47 49.23 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.334 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_exo -27.46 102.45 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.231 0 C-N-CA 124.621 3.547 . . . . 0.0 115.191 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -58.81 112.07 1.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.313 0.383 . . . . 0.0 109.987 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.04 106.11 0.32 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . 0.424 ' OH ' HG21 ' B' ' 78' ' ' THR . 1.7 t80 69.76 92.74 0.08 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.989 0.423 . . . . 0.0 111.208 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.67 -94.11 0.35 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.66 155.24 18.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.934 0.397 . . . . 0.0 110.966 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.423 HG21 ' OH ' ' D' ' 75' ' ' TYR . 12.6 m -119.67 108.55 14.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.431 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.37 113.38 2.2 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.09 92.68 0.36 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -59.0 -167.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.801 0.334 . . . . 0.0 110.482 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 -46.73 2.47 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.16 127.56 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.885 0.374 . . . . 0.0 110.641 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.82 97.82 2.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.112 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.97 120.11 30.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.716 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -138.1 154.12 49.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.047 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 90.7 p -138.48 146.22 41.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.169 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.18 -172.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.096 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 46.3 t -172.33 160.47 4.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.652 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.86 143.84 9.77 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.178 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.1 81.04 1.58 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.976 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.33 55.52 0.02 OUTLIER Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 9.5 mp0 -98.01 116.61 30.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.705 0.288 . . . . 0.0 110.773 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.47 132.9 43.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.705 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.95 125.38 25.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.691 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . . . . . . . . . 72.6 m 51.9 34.47 13.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.703 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.562 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.27 114.55 28.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.555 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -142.46 100.64 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.694 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.88 166.11 29.8 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -150.96 161.63 42.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.615 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 66.1 m -124.25 150.65 45.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.498 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.55 -170.35 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.646 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 96.3 p -78.94 160.76 27.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.41 139.03 28.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.764 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.86 128.95 11.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.27 -52.8 6.93 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.328 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.73 -159.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.208 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.28 53.38 25.91 Favored Glycine 0 C--O 1.224 -0.488 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.269 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.12 -176.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.211 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.48 -60.16 0.82 Allowed Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.079 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -151.57 -70.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.685 0.279 . . . . 0.0 111.165 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -109.53 147.66 32.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.808 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.46 134.22 32.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.623 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.81 153.0 43.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.407 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.56 -167.0 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.666 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.51 153.68 28.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -74.3 -33.55 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.443 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.99 -169.64 42.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.38 135.23 52.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.686 0.279 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 92.4 p -161.83 -169.01 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.942 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.73 115.32 19.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.232 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.5 102.11 14.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.62 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.78 130.84 53.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -159.31 0.07 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.97 44.3 0.55 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.04 -112.04 0.45 Allowed Glycine 0 C--N 1.338 0.646 0 N-CA-C 111.617 -0.593 . . . . 0.0 111.617 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . . . . . . . . . 69.1 p -130.83 123.63 29.51 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.57 168.78 21.1 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.358 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.01 116.11 15.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.817 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.11 162.45 49.2 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.413 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -27.46 102.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.229 0 C-N-CA 124.658 3.572 . . . . 0.0 115.219 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -58.82 112.01 1.49 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.07 106.04 0.32 Allowed Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . 0.423 ' OH ' HG21 ' C' ' 78' ' ' THR . 1.7 t80 69.89 92.65 0.08 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.861 0.362 . . . . 0.0 111.233 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.65 -94.28 0.35 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 86.0 p -91.49 155.21 18.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 0.0 110.999 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . 0.424 HG21 ' OH ' ' E' ' 75' ' ' TYR . 12.2 m -119.57 108.49 14.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.585 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.38 113.33 2.19 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.14 92.67 0.36 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -58.9 -167.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.56 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.94 -46.73 2.47 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.14 127.54 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.898 0.38 . . . . 0.0 110.63 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.72 97.84 2.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.069 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.97 120.19 30.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.711 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 27.0 t -138.17 154.1 49.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.03 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 90.5 p -138.4 146.25 41.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.134 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.19 -172.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.079 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.39 160.63 4.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.651 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t -162.96 143.86 9.62 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.21 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.11 81.18 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.984 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.23 55.54 0.02 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.93 116.55 30.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.691 0.281 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -132.52 132.87 43.09 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.671 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.91 125.37 25.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.662 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m 51.93 34.48 13.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.698 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.504 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -108.39 114.21 27.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -142.14 100.08 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.62 166.0 29.66 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -150.93 161.59 42.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.546 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m -124.21 150.6 45.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.452 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.49 -170.32 3.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.624 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 95.5 p -78.87 160.52 27.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 13.1 t -144.31 138.61 28.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.741 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -150.13 129.81 13.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . 0.415 HG22 ' N ' ' E' ' 48' ' ' SER . 1.0 OUTLIER -84.61 -49.41 8.58 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 119.266 -0.974 . . . . 0.0 111.785 -178.754 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . 0.415 ' N ' HG22 ' E' ' 47' ' ' THR . 10.3 t -130.77 -159.17 0.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.718 178.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.55 48.28 44.63 Favored Glycine 0 C--O 1.219 -0.835 0 C-N-CA 118.848 -1.644 . . . . 0.0 111.876 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 55.4 -175.61 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.097 -0.641 . . . . 0.0 109.572 -179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -102.06 -57.47 0.81 Allowed Glycine 0 CA--C 1.519 0.322 0 C-N-CA 119.724 -1.226 . . . . 0.0 111.261 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -152.23 -74.15 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -178.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -108.54 147.21 32.08 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.859 0.725 . . . . 0.0 110.144 -177.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.03 134.52 33.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.799 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.7 153.11 42.84 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.65 0.594 . . . . 0.0 110.482 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.6 -167.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.585 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 87.9 p -80.43 153.63 28.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.25 -33.58 63.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.466 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.01 -169.57 42.51 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.39 135.27 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.695 0.284 . . . . 0.0 110.341 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 93.3 p -161.89 -169.04 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.938 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.63 115.12 18.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.358 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -94.31 101.81 13.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.733 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 96.0 m -121.5 130.58 53.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.646 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -59.14 -161.82 0.07 OUTLIER Glycine 0 CA--C 1.525 0.673 0 O-C-N 124.217 0.948 . . . . 0.0 111.322 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -78.32 45.31 0.55 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.426 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.0 -112.27 0.48 Allowed Glycine 0 N--CA 1.47 0.901 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . . . . . . . . . 71.2 p -131.05 123.12 28.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.147 0.499 . . . . 0.0 109.929 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.52 168.61 21.5 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.115 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 40.0 t -134.21 117.06 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.564 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.27 162.93 47.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.245 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' F' ' 73' ' ' GLN . 92.8 Cg_exo -31.93 107.98 0.04 OUTLIER 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 123.588 2.859 . . . . 0.0 114.104 -176.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -61.75 114.09 3.12 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.254 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.47 104.81 0.29 Allowed Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.364 -0.695 . . . . 0.0 111.364 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . 0.424 ' OH ' HG21 ' D' ' 78' ' ' THR . 1.6 t80 71.94 90.24 0.09 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.607 178.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.47 -92.16 0.38 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 120.594 -0.813 . . . . 0.0 111.934 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 85.3 p -92.53 154.78 18.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 111.035 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . 0.42 HG21 ' OH ' ' F' ' 75' ' ' TYR . 11.6 m -119.24 107.62 13.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.782 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.88 113.27 2.23 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.11 92.0 0.34 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -58.67 -165.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.59 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.12 -44.42 2.82 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 169.71 127.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.282 0.563 . . . . 0.0 110.44 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 69.4 m -148.9 96.6 2.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.351 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.36 119.18 28.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.749 0.309 . . . . 0.0 110.68 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 26.7 t -137.9 154.07 49.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.41 146.18 41.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.148 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.37 -173.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.065 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -170.27 161.37 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.591 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -162.8 144.07 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.417 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -145.88 80.94 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.987 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.3 55.45 0.02 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -96.39 116.35 28.9 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.948 -0.148 . . . . 0.0 111.161 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.49 132.93 43.2 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.242 0.339 . . . . 0.0 110.75 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.55 125.39 25.64 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.507 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 72.8 m 51.9 34.55 13.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.494 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.29 114.63 28.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.55 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 42.7 t -142.49 100.68 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.653 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.02 166.01 29.86 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -150.88 161.5 42.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.743 0.306 . . . . 0.0 110.716 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 66.5 m -124.14 150.67 44.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.509 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.56 -170.36 3.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.583 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 96.0 p -78.93 160.61 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.3 139.07 28.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.702 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.83 129.11 11.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.637 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.44 -52.74 6.94 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.348 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.81 -159.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.15 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.22 53.6 25.0 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.255 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.08 -175.82 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.079 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.59 -60.21 0.82 Allowed Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.59 -70.85 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.717 0.294 . . . . 0.0 111.118 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 46.6 t -109.42 147.68 32.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.864 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 43.4 t -139.49 134.36 32.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.546 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.92 153.01 43.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.53 -167.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.578 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 88.4 p -80.48 153.6 28.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -74.29 -33.5 63.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.406 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.06 -169.57 42.44 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.43 135.29 52.92 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.433 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 90.9 p -161.8 -168.94 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 111.006 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.8 115.24 19.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.335 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.45 102.02 13.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.639 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.68 130.86 53.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.52 -159.22 0.07 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.01 44.32 0.56 Allowed 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.96 -112.09 0.45 Allowed Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . . . . . . . . . 69.2 p -130.82 123.7 29.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.59 168.83 20.99 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.31 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 40.4 t -134.03 116.12 15.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.846 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.04 162.52 49.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.348 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -27.52 102.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.223 0 C-N-CA 124.642 3.561 . . . . 0.0 115.193 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . 0.423 ' HA ' ' HA ' ' E' ' 72' ' ' PRO . 87.7 mm-40 -58.84 112.18 1.55 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.911 0.386 . . . . 0.0 110.008 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.88 106.13 0.31 Allowed Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . 0.42 ' OH ' HG21 ' E' ' 78' ' ' THR . 1.6 t80 69.76 92.75 0.08 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.991 0.424 . . . . 0.0 111.285 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.76 -94.07 0.36 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 85.8 p -91.64 155.22 18.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.773 0.321 . . . . 0.0 111.041 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . 0.421 HG21 ' OH ' ' G' ' 75' ' ' TYR . 12.4 m -119.62 108.49 14.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.35 113.35 2.2 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.08 92.83 0.36 Allowed Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -58.99 -167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.773 0.321 . . . . 0.0 110.493 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.85 -46.63 2.49 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.12 127.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.809 0.338 . . . . 0.0 110.707 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 68.1 m -148.72 97.76 2.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.103 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.9 120.25 31.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.758 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 26.9 t -138.2 154.14 49.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.001 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.44 146.21 41.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.211 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.16 -172.88 0.74 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.056 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.35 160.49 4.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.59 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t -162.89 143.86 9.73 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.149 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.13 81.12 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.978 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.19 55.6 0.02 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.87 116.55 30.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.697 0.285 . . . . 0.0 110.922 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.55 132.87 43.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.676 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.89 125.44 25.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.635 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . . . . . . . . . 72.7 m 51.93 34.34 13.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.752 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.525 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.35 114.59 28.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.539 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 42.6 t -142.49 100.71 3.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.651 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.02 165.98 29.86 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -150.82 161.52 42.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.334 . . . . 0.0 110.655 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m -124.11 150.7 44.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.566 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.58 -170.37 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.577 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 95.3 p -78.84 160.58 27.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.26 139.01 28.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.758 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.82 129.04 11.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.582 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.32 -52.77 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.374 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -131.79 -159.67 0.98 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.138 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.19 53.55 25.35 Favored Glycine 0 C--O 1.223 -0.549 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.259 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.13 -175.93 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.184 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.54 -60.11 0.82 Allowed Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.166 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.6 -70.83 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.699 0.285 . . . . 0.0 111.165 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 46.5 t -109.52 147.61 32.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.861 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -139.32 134.28 32.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.654 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -124.85 153.01 43.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -108.58 -167.04 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -80.42 153.63 28.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.18 -33.67 63.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.474 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.98 -169.52 42.52 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.53 135.23 52.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.713 0.292 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 91.6 p -161.77 -169.02 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.942 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.66 115.31 19.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.276 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.45 102.04 13.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.671 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 96.4 m -121.61 130.78 53.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.56 -159.19 0.07 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.0 44.33 0.55 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.02 -112.14 0.46 Allowed Glycine 0 C--N 1.337 0.638 0 N-CA-C 111.648 -0.581 . . . . 0.0 111.648 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . . . . . . . . . 69.6 p -130.72 123.65 29.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -147.56 168.86 20.88 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.281 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -134.1 116.12 15.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.736 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.16 162.54 48.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.285 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -27.46 102.44 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.255 0 C-N-CA 124.745 3.63 . . . . 0.0 115.079 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -58.81 112.08 1.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.904 0.383 . . . . 0.0 109.986 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.06 106.11 0.32 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . 0.421 ' OH ' HG21 ' F' ' 78' ' ' THR . 1.6 t80 69.74 92.69 0.08 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 111.275 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.73 -94.17 0.36 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 85.9 p -91.58 155.34 18.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.967 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . 0.422 HG21 ' OH ' ' H' ' 75' ' ' TYR . 12.7 m -119.76 108.5 14.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.485 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.38 113.36 2.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.11 92.68 0.36 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -58.92 -167.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.76 0.314 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.93 -46.61 2.47 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.12 127.5 0.02 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.834 0.349 . . . . 0.0 110.562 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 68.4 m -148.76 97.85 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.099 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.94 120.16 30.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.756 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 26.9 t -138.14 154.13 49.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 90.4 p -138.46 146.24 41.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.181 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.19 -172.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.611 -0.435 . . . . 0.0 111.029 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 46.6 t -172.34 160.56 5.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.624 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.91 143.84 9.69 Favored 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.186 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.14 81.25 1.59 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.964 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.19 55.53 0.02 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.95 116.63 30.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.72 0.295 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.53 132.84 43.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.705 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.95 125.52 25.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.623 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . . . . . . . . . 72.5 m 51.82 34.39 13.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.736 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.561 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -108.32 114.61 28.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.57 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 42.8 t -142.46 100.67 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.681 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -149.96 166.05 29.84 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -150.97 161.56 42.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 0.0 110.626 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 66.4 m -124.16 150.7 44.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.46 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.59 -170.41 3.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.587 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 95.2 p -78.87 160.65 27.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 13.0 t -144.35 139.05 28.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.663 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -150.84 129.08 11.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.581 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -81.35 -52.74 6.96 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.4 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 10.8 t -131.85 -159.81 1.0 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.062 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.4 53.47 24.96 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.248 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.03 -175.84 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.186 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.6 -60.04 0.82 Allowed Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.504 -0.855 . . . . 0.0 111.082 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -151.58 -70.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.752 0.31 . . . . 0.0 111.168 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 46.5 t -109.44 147.6 32.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 43.5 t -139.44 134.18 31.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.659 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.74 152.94 43.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.454 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.48 -167.09 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.673 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 88.8 p -80.46 153.65 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -74.27 -33.53 63.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.467 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.07 -169.53 42.4 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.45 135.3 52.89 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.388 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 92.5 p -161.81 -168.89 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.001 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.81 115.29 19.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.26 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.5 102.01 13.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 96.8 m -121.71 130.92 53.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.65 -159.16 0.07 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -79.04 44.44 0.56 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.571 0.212 . . . . 0.0 111.571 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.9 -112.22 0.46 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . . . . . . . . . 69.5 p -130.69 123.53 29.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.44 168.92 20.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.09 0.471 . . . . 0.0 111.282 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 40.3 t -134.19 116.03 14.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.844 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.06 162.44 49.38 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.296 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -27.57 102.55 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.216 0 C-N-CA 124.645 3.563 . . . . 0.0 115.11 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -58.87 112.1 1.53 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.332 0.395 . . . . 0.0 110.011 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.16 106.04 0.33 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . 0.422 ' OH ' HG21 ' G' ' 78' ' ' THR . 1.7 t80 69.85 92.68 0.08 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.892 0.377 . . . . 0.0 111.188 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.74 -94.08 0.36 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 85.7 p -91.5 155.22 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 111.056 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . 0.417 HG21 ' OH ' ' I' ' 75' ' ' TYR . 12.4 m -119.63 108.54 14.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.508 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -122.35 113.37 2.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.1 92.73 0.36 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -59.02 -167.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.532 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 92.87 -46.5 2.49 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 172.07 127.55 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.803 0.335 . . . . 0.0 110.639 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 68.3 m -148.72 97.79 2.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.152 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.94 120.18 30.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.726 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 27.0 t -138.2 154.11 49.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 90.5 p -138.45 146.24 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.154 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.15 -172.93 0.75 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.004 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -172.23 160.63 5.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.621 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 30.7 t -162.91 143.84 9.7 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.202 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -146.07 81.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.934 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 163.1 55.58 0.02 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.91 116.64 30.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.742 0.306 . . . . 0.0 110.8 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.58 132.87 43.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.732 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.88 125.42 25.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.636 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . . . . . . . . . 72.8 m 51.85 34.38 13.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.502 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -108.28 114.5 28.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.574 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 42.9 t -142.44 100.84 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.667 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -150.11 165.92 29.89 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -150.82 161.6 42.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.693 0.282 . . . . 0.0 110.676 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 66.6 m -124.12 150.7 44.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.493 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -83.51 -170.4 3.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.69 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 95.0 p -78.84 160.79 27.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.064 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 13.6 t -144.56 138.98 27.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.757 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -150.68 130.19 13.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.547 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -82.78 -52.82 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.065 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 10.9 t -131.82 -159.62 0.98 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.25 53.5 25.4 Favored Glycine 0 C--O 1.224 -0.504 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.331 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 53.12 -175.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.208 -0.597 . . . . 0.0 110.057 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.74 -60.08 0.81 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -151.67 -70.98 0.16 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.707 0.289 . . . . 0.0 111.119 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -109.6 147.11 33.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.852 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 43.6 t -138.89 134.24 32.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.725 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -124.77 153.02 43.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.439 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -108.46 -167.35 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.628 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 89.7 p -80.19 153.7 28.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -74.39 -33.46 63.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.451 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.15 -169.54 42.29 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.47 135.46 53.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.723 0.297 . . . . 0.0 110.281 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 90.0 p -162.04 -169.13 2.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.952 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -126.68 115.22 19.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.359 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.47 101.97 13.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.685 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 97.6 m -121.29 131.12 54.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -60.86 -159.03 0.07 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -79.11 45.46 0.63 Allowed 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.873 -0.193 . . . . 0.0 111.394 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.1 -112.02 0.39 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . . . . . . . . . 63.6 p -130.6 123.93 30.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -147.96 168.95 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.169 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 40.7 t -134.22 115.99 14.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.861 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.69 162.54 50.02 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.303 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -28.25 103.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 124.603 3.535 . . . . 0.0 114.74 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -59.05 112.55 1.72 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.857 0.36 . . . . 0.0 110.036 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.19 106.13 0.33 Allowed Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . 0.56 ' HE2' ' HG1' ' I' ' 78' ' ' THR . 1.7 t80 69.86 92.87 0.08 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.673 0.273 . . . . 0.0 111.037 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -79.75 -93.61 0.37 Allowed Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 85.8 p -91.69 155.41 18.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.832 0.348 . . . . 0.0 110.982 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . 0.56 ' HG1' ' HE2' ' I' ' 75' ' ' TYR . 14.2 m -119.61 108.26 14.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.559 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.99 113.46 2.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . 136.14 92.8 0.36 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -59.0 -167.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.943 0.402 . . . . 0.0 110.468 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.05 -46.32 2.45 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.04 127.63 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.855 0.359 . . . . 0.0 110.53 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -148.86 97.72 2.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.203 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -124.86 120.17 30.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.73 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -138.24 153.86 49.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 90.1 p -138.23 146.15 42.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.102 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -174.38 -173.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.962 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 46.7 t -171.26 160.76 6.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.729 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 30.5 t -162.83 144.04 9.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.848 0.356 . . . . 0.0 111.264 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -146.46 82.36 1.59 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.805 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 162.39 55.53 0.02 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -97.89 116.4 30.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -132.53 132.83 43.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.689 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.89 125.49 25.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . . . . . . . . . 72.4 m 51.83 34.48 13.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.742 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.487 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -114.17 134.14 55.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.641 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.7 94.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.49 142.99 13.31 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -119.07 38.72 3.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.459 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.2 t -56.3 140.3 45.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.539 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -105.65 -167.8 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.45 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.4 m -58.18 131.91 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.0 110.979 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.6 m -118.01 130.43 56.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.184 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -143.1 121.78 12.57 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.465 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 47' ' ' THR . 1.6 t -86.18 -39.09 17.0 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.975 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -133.64 175.09 9.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.943 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.12 70.12 1.22 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 30.99 71.85 0.07 Allowed 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.069 0.511 . . . . 0.0 112.305 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.25 94.49 0.12 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.05 91.6 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.3 t -149.43 146.02 27.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.783 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.1 t -127.57 121.45 30.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.618 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -71.77 -29.45 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.533 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.29 -161.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -57.94 138.88 55.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.394 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.75 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.643 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.78 -179.13 52.79 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.81 95.27 9.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.97 0.414 . . . . 0.0 110.789 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.3 154.95 37.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -50.07 126.2 13.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -135.25 102.58 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.9 p -100.63 146.26 27.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.1 0.476 . . . . 0.0 110.632 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.12 -160.49 0.55 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.73 -46.16 14.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.965 0.412 . . . . 0.0 110.941 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.82 -102.84 2.41 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.404 HG21 ' HB2' ' A' ' 96' ' ' SER . 24.6 p -112.81 116.63 30.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.144 0.497 . . . . 0.0 110.345 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -169.21 143.86 3.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.973 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.5 m -110.16 127.66 55.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.06 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.38 169.11 16.09 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -49.33 105.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.193 1.928 . . . . 0.0 113.024 -178.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -67.22 112.64 4.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.932 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.04 116.14 0.23 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.0 t80 58.83 87.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.187 0.518 . . . . 0.0 110.88 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.22 88.37 0.77 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.22 125.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.42 ' O ' HG22 ' A' ' 78' ' ' THR . 1.0 OUTLIER -81.22 114.75 20.24 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 121.21 0.529 . . . . 0.0 109.747 178.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.25 -88.23 0.21 Allowed Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.58 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.18 134.26 10.01 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -81.19 -167.99 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.63 0.253 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.12 -46.07 1.24 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t 171.24 131.54 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.732 0.301 . . . . 0.0 110.667 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.39 -71.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.997 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 48.69 70.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.102 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.1 t -135.81 133.2 37.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.879 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.0 m -121.6 151.21 40.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.377 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.38 -173.52 0.65 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.961 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -167.53 160.56 13.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.749 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.7 t -163.82 131.19 3.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.94 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -145.15 92.97 2.32 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 157.62 40.93 0.02 OUTLIER Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.48 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.5 133.72 41.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.681 0.277 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.42 137.29 35.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.913 0.387 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.75 130.08 31.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.166 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.404 ' HB2' HG21 ' A' ' 68' ' ' THR . 47.9 t 58.14 51.43 8.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.492 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.496 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -114.12 134.13 55.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.72 94.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.42 143.01 13.37 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -118.88 38.14 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.49 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -55.78 140.32 42.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.559 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -105.65 -167.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 75.8 m -58.43 131.87 52.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.952 0.406 . . . . 0.0 110.993 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -117.85 130.66 56.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.215 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -143.33 121.81 12.43 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.403 ' H ' HG22 ' B' ' 47' ' ' THR . 1.7 t -86.49 -39.09 16.62 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.684 -0.407 . . . . 0.0 111.917 -179.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.53 175.48 9.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.952 0.406 . . . . 0.0 110.939 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.62 71.9 0.87 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.24 72.43 0.05 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.69 94.48 0.14 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.29 -1.124 . . . . 0.0 110.29 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.25 91.4 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 45.2 t -149.43 145.85 27.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.843 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.7 t -127.6 121.46 30.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.604 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.4 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.29 -161.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.478 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -57.98 138.94 55.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.378 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.74 152.81 28.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.82 -179.15 52.79 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.76 95.2 8.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.966 0.412 . . . . 0.0 110.828 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 77.6 p -151.32 154.5 36.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.59 126.14 12.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.681 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.27 102.36 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.611 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.25 146.61 26.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.709 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.48 -160.4 0.63 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.85 -46.13 15.49 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.723 0.297 . . . . 0.0 110.748 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.89 -103.19 2.46 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.411 HG21 ' HB2' ' B' ' 96' ' ' SER . 24.8 p -112.29 116.63 30.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.813 0.339 . . . . 0.0 110.417 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.15 143.86 3.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.15 127.67 55.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.091 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.44 169.02 16.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.051 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -49.42 103.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.4 2.067 . . . . 0.0 113.31 -178.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.99 112.82 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.638 0.586 . . . . 0.0 110.338 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.97 116.34 0.23 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 58.72 87.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.737 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.29 88.62 0.78 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.43 124.11 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.426 ' O ' HG22 ' B' ' 78' ' ' THR . 1.0 OUTLIER -79.89 114.72 19.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.186 178.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.99 -88.26 0.2 Allowed Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.08 134.4 9.73 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -81.36 -168.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.689 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.23 -45.79 1.27 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.18 131.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.736 0.303 . . . . 0.0 110.651 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 43.4 t -98.32 -71.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.073 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.71 70.66 0.44 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.034 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 13.8 t -135.79 133.2 37.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.824 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' SER . . . . . . . . . . . . . 66.1 m -121.56 151.03 40.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.337 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.28 -173.48 0.66 Allowed 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.09 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 92.5 p -167.47 160.42 13.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.731 0.3 . . . . 0.0 110.747 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 45.8 t -163.77 131.22 3.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.16 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.14 94.29 2.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.77 41.08 0.02 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.55 133.6 41.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.711 0.291 . . . . 0.0 110.471 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -139.47 137.22 35.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 130.12 31.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.198 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . 0.411 ' HB2' HG21 ' B' ' 68' ' ' THR . 47.6 t 58.16 51.32 8.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.515 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.608 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -114.14 134.06 55.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.604 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.76 94.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.39 142.96 13.32 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -118.82 38.13 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 110.533 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' SER . . . . . . . . . . . . . 40.2 t -55.7 140.4 41.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.547 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -105.68 -167.6 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.333 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -58.54 131.84 51.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.939 0.399 . . . . 0.0 110.985 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' THR . . . . . . . . . . . . . 91.4 m -117.73 130.58 56.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.251 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -143.3 121.74 12.4 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' THR . . . . . 0.401 ' H ' HG22 ' C' ' 47' ' ' THR . 1.7 t -86.46 -39.16 16.58 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.912 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.48 175.49 9.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.995 0.426 . . . . 0.0 110.829 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.66 71.88 0.88 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.17 72.49 0.05 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.74 94.48 0.14 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.287 -1.125 . . . . 0.0 110.287 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 68.23 91.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' SER . . . . . . . . . . . . . 45.4 t -149.34 145.84 27.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -127.53 121.44 30.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.634 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.33 64.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.603 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.24 -161.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.431 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 69.0 m -57.98 138.96 55.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.395 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.77 28.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.671 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.89 -179.15 52.78 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.72 95.14 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.389 . . . . 0.0 110.804 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.34 154.41 36.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.42 126.12 12.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.745 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.3 102.38 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.537 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -100.16 146.54 26.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.755 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.41 -160.34 0.61 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -46.12 15.8 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.689 0.281 . . . . 0.0 110.754 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.92 -103.23 2.46 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.408 HG21 ' HB2' ' C' ' 96' ' ' SER . 25.0 p -112.36 116.61 30.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.745 0.307 . . . . 0.0 110.378 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -169.13 144.01 3.12 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.84 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -110.24 127.63 55.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.107 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.39 169.01 16.36 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.033 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.41 102.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.446 2.098 . . . . 0.0 113.304 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.7 112.73 3.35 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.641 0.588 . . . . 0.0 110.407 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.02 116.31 0.23 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 75' ' ' TYR . . . . . . . . . . . . . 4.5 t80 58.72 87.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.75 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.24 88.63 0.78 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.48 124.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.428 ' O ' HG22 ' C' ' 78' ' ' THR . 1.0 OUTLIER -79.89 114.77 19.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.393 . . . . 0.0 110.262 178.869 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.06 -88.25 0.2 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.08 134.33 9.76 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.421 -0.671 . . . . 0.0 111.421 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 81' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -81.24 -168.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.843 0.354 . . . . 0.0 110.719 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.3 -45.79 1.27 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.15 131.61 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.747 0.308 . . . . 0.0 110.664 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.36 -71.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.051 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.91 70.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.992 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.71 133.09 37.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.83 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.51 151.03 40.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.388 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.24 -173.51 0.67 Allowed 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.103 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -167.41 160.39 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.759 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 45.5 t -163.75 131.32 3.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.127 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.34 94.5 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.63 41.12 0.02 OUTLIER Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.53 133.56 41.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.737 0.303 . . . . 0.0 110.46 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -139.48 137.22 35.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.68 130.2 31.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.199 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 96' ' ' SER . . . . . 0.408 ' HB2' HG21 ' C' ' 68' ' ' THR . 47.6 t 57.97 51.43 8.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.918 0.389 . . . . 0.0 110.554 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.599 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -114.12 134.2 55.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.604 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.7 94.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.38 143.0 13.37 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 41' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -118.85 38.22 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.311 . . . . 0.0 110.408 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 42' ' ' SER . . . . . . . . . . . . . 40.0 t -55.86 140.48 42.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -105.74 -167.6 1.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.347 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.5 131.9 52.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.853 0.358 . . . . 0.0 110.973 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -117.99 130.34 56.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.276 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.09 121.9 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.66 -39.06 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.965 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.53 175.52 9.35 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.918 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 49' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' D' ' 50' ' ' TYR . . . 67.65 71.85 0.88 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 50' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' D' ' 49' ' ' GLY . 13.1 m-85 29.24 72.72 0.05 Allowed 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.96 94.47 0.14 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.266 -1.133 . . . . 0.0 110.266 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 68.25 91.26 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.833 0.349 . . . . 0.0 110.087 -179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 53' ' ' SER . . . . . . . . . . . . . 45.7 t -149.37 145.9 27.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 54' ' ' SER . . . . . . . . . . . . . 41.8 t -127.51 121.46 30.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.648 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 55' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -71.73 -29.34 64.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.17 -161.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.412 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -57.79 138.93 55.12 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.392 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.86 152.78 28.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.601 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.91 -179.15 52.78 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.69 95.14 8.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 110.821 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 61' ' ' SER . . . . . . . . . . . . . 77.5 p -151.26 154.4 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.46 126.1 12.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.672 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.23 102.44 5.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.53 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 64' ' ' THR . . . . . . . . . . . . . 81.4 p -100.49 146.47 27.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.818 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.32 -160.31 0.58 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -45.69 16.26 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.721 0.296 . . . . 0.0 110.776 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.42 -103.01 2.47 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 68' ' ' THR . . . . . 0.409 HG21 ' HB2' ' D' ' 96' ' ' SER . 25.2 p -112.39 116.52 30.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.765 0.317 . . . . 0.0 110.655 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.06 144.07 3.17 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.891 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -110.26 127.76 55.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.118 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.52 169.04 16.14 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 72' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -49.44 102.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.405 2.07 . . . . 0.0 113.355 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.68 112.64 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.668 0.605 . . . . 0.0 110.41 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.01 116.2 0.23 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 58.85 87.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.898 0.38 . . . . 0.0 110.816 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.21 88.62 0.79 Allowed Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.77 124.1 0.02 OUTLIER 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 78' ' ' THR . . . . . 0.428 ' O ' HG22 ' D' ' 78' ' ' THR . 1.0 OUTLIER -80.0 114.76 19.15 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.35 178.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.07 -88.3 0.2 Allowed Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.11 134.4 9.8 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.23 -168.03 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.782 0.325 . . . . 0.0 110.765 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.19 -45.75 1.28 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.24 131.59 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.674 0.273 . . . . 0.0 110.656 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 84' ' ' SER . . . . . . . . . . . . . 43.3 t -98.27 -71.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.049 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 85' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 48.83 70.53 0.45 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.048 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.72 133.21 37.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.756 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.56 150.99 40.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.23 -173.63 0.68 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.106 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 92.5 p -167.32 160.4 13.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.74 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 90' ' ' SER . . . . . . . . . . . . . 45.8 t -163.78 131.2 3.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.115 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.32 94.65 2.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.57 41.2 0.02 OUTLIER Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.474 -0.651 . . . . 0.0 111.474 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.55 133.59 41.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.474 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.46 137.23 35.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.65 130.2 31.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.272 179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 96' ' ' SER . . . . . 0.409 ' HB2' HG21 ' D' ' 68' ' ' THR . 47.8 t 57.99 51.4 8.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.591 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.531 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -114.15 134.4 54.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.61 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t 51.21 94.49 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.411 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.68 142.97 13.22 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -118.8 38.09 3.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.757 0.313 . . . . 0.0 110.523 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -55.86 140.42 42.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -105.63 -167.6 1.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.393 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.41 131.9 52.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.927 0.394 . . . . 0.0 110.984 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 45' ' ' THR . . . . . . . . . . . . . 91.1 m -117.99 130.7 56.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.198 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 46' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' F' ' 46' ' ' ASP . 15.7 m-20 -143.6 122.57 12.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.106 0.955 . . . . 0.0 111.036 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 1.4 t -88.86 -38.94 14.19 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.076 -1.015 . . . . 0.0 111.34 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -130.86 175.53 8.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.811 0.339 . . . . 0.0 111.477 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 49' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' E' ' 50' ' ' TYR . . . 68.93 70.91 1.05 Allowed Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.222 177.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 50' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' E' ' 49' ' ' GLY . 14.0 m-85 26.65 76.88 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.087 0.555 . . . . 0.0 111.356 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.24 92.26 0.14 Allowed Glycine 0 CA--C 1.518 0.238 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 69.08 91.54 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.919 0.39 . . . . 0.0 110.007 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 53' ' ' SER . . . . . . . . . . . . . 45.5 t -149.44 145.91 27.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -127.35 121.82 32.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.489 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 55' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -71.96 -29.42 64.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.678 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 56' ' ' SER . . . . . . . . . . . . . 9.9 t 51.31 -161.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.387 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -58.04 138.93 55.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.84 152.73 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.703 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.84 -179.06 52.76 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.82 95.2 8.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.016 0.436 . . . . 0.0 110.796 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -151.35 154.43 36.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.57 125.94 12.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.695 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 63' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -135.01 101.99 5.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.727 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -99.98 146.35 26.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.546 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 65' ' ' GLY . . . . . . . . . . . . . . . -64.61 -161.99 0.59 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.56 -47.2 10.24 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.715 0.293 . . . . 0.0 110.62 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.52 -103.08 2.38 Favored Glycine 0 N--CA 1.464 0.54 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 68' ' ' THR . . . . . 0.407 HG21 ' HB2' ' E' ' 96' ' ' SER . 25.0 p -112.53 115.89 29.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.895 0.409 . . . . 0.0 110.409 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -168.3 144.63 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.801 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 70' ' ' SER . . . . . . . . . . . . . 73.6 m -110.62 128.46 55.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.972 179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.92 168.68 17.14 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.117 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 72' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' F' ' 73' ' ' GLN . 61.0 Cg_exo -51.11 107.9 0.2 Allowed 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 121.059 1.173 . . . . 0.0 112.102 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 73' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -67.74 114.19 6.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.878 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.71 115.03 0.21 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 60.67 85.99 0.11 Allowed 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.787 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 76' ' ' GLY . . . . . . . . . . . . . . . -99.84 91.87 1.07 Allowed Glycine 0 CA--C 1.53 0.983 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.788 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . 2.4 p 61.22 125.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.912 0.387 . . . . 0.0 111.898 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 78' ' ' THR . . . . . 0.431 ' O ' HG22 ' E' ' 78' ' ' THR . 1.0 OUTLIER -80.6 113.93 19.13 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.144 0.497 . . . . 0.0 109.915 178.785 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' E' E ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.99 -88.97 0.16 Allowed Glycine 0 CA--C 1.543 1.826 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.312 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 80' ' ' GLY . . . . . . . . . . . . . . . -45.14 133.93 7.85 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 81' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -80.96 -167.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.69 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.9 -43.46 1.67 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 169.08 132.06 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.989 0.423 . . . . 0.0 110.346 179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 84' ' ' SER . . . . . . . . . . . . . 43.0 t -98.48 -71.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.676 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 48.89 70.75 0.43 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.57 132.87 37.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.724 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m -121.48 151.04 40.71 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.421 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.27 -173.64 0.67 Allowed 'General case' 0 C--O 1.223 -0.309 0 CA-C-O 121.397 0.618 . . . . 0.0 111.049 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 89' ' ' SER . . . . . . . . . . . . . 94.1 p -166.69 160.65 15.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.821 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 90' ' ' SER . . . . . . . . . . . . . 46.0 t -162.88 131.28 3.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.409 178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -144.81 93.71 2.44 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.173 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.76 41.75 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.33 133.44 40.7 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.969 -0.136 . . . . 0.0 110.804 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.56 137.21 35.22 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.853 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.41 130.3 32.49 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.801 0.688 . . . . 0.0 110.005 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . 0.407 ' HB2' HG21 ' E' ' 68' ' ' THR . 47.4 t 58.19 51.38 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.56 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 38' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -114.15 134.14 55.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.81 94.28 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.51 143.09 13.43 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -118.99 38.14 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.57 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -55.7 140.31 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.527 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -105.61 -167.61 1.34 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.36 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.47 131.95 52.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.958 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 45' ' ' THR . . . . . . . . . . . . . 91.3 m -117.85 130.67 56.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.18 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 46' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' E' ' 46' ' ' ASP . 14.6 m-20 -143.4 121.89 12.44 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.917 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.43 -39.3 16.49 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.922 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.4 175.59 9.28 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.881 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.55 72.04 0.85 Allowed Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 50' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 28.88 72.63 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.83 94.36 0.14 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 68.27 91.38 0.09 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.831 0.348 . . . . 0.0 110.063 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 53' ' ' SER . . . . . . . . . . . . . 45.6 t -149.45 145.83 27.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.846 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 54' ' ' SER . . . . . . . . . . . . . 41.9 t -127.54 121.42 30.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.658 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 55' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -71.77 -29.35 64.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.3 -161.73 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.44 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 57' ' ' SER . . . . . . . . . . . . . 69.0 m -57.85 138.88 55.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.416 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.8 152.72 28.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.652 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.85 -179.05 52.75 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.78 95.14 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.383 . . . . 0.0 110.806 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 61' ' ' SER . . . . . . . . . . . . . 77.6 p -151.31 154.27 36.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.44 126.19 12.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.68 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.4 102.46 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 64' ' ' THR . . . . . . . . . . . . . 81.4 p -100.06 146.82 26.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.955 0.407 . . . . 0.0 110.497 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.63 -160.1 0.64 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.99 -46.41 16.39 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.68 0.276 . . . . 0.0 110.766 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.13 -103.3 2.45 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 68' ' ' THR . . . . . 0.407 HG21 ' HB2' ' F' ' 96' ' ' SER . 25.0 p -112.2 117.0 31.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 110.312 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.38 144.05 2.98 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.32 127.62 55.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.12 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.43 169.02 16.29 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.013 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.41 102.83 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.435 2.09 . . . . 0.0 113.351 -178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 73' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' E' ' 72' ' ' PRO . 7.4 mp0 -64.57 112.68 3.27 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.76 0.663 . . . . 0.0 110.491 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.9 116.54 0.23 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 75' ' ' TYR . . . . . . . . . . . . . 4.5 t80 58.9 87.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.769 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.22 88.68 0.79 Allowed Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p 63.42 124.03 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 78' ' ' THR . . . . . 0.431 ' O ' HG22 ' F' ' 78' ' ' THR . 1.0 OUTLIER -79.94 114.84 19.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.977 0.418 . . . . 0.0 110.237 178.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' F' F ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.93 -88.25 0.2 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.07 134.33 9.74 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.27 -168.21 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.362 . . . . 0.0 110.679 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.38 -45.8 1.27 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.16 131.6 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.781 0.324 . . . . 0.0 110.637 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 84' ' ' SER . . . . . . . . . . . . . 43.4 t -98.27 -71.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.063 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.83 70.57 0.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.019 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . 14.0 t -135.71 133.22 37.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.798 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -121.59 151.08 40.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.337 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.23 -173.57 0.67 Allowed 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.142 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -167.49 160.38 13.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.745 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 90' ' ' SER . . . . . . . . . . . . . 45.2 t -163.81 131.27 3.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.15 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.08 94.77 2.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.016 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.39 41.1 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.45 133.44 42.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.678 0.275 . . . . 0.0 110.482 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.37 137.19 35.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 110.956 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.69 130.17 31.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.146 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 96' ' ' SER . . . . . 0.407 ' HB2' HG21 ' F' ' 68' ' ' THR . 47.7 t 58.06 51.41 8.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.449 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 97' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.581 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 38' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -114.08 134.18 55.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.548 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.75 94.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.959 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.5 142.97 13.3 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 41' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -118.77 37.99 3.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 110.518 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -55.69 140.43 41.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.541 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 43' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -105.75 -167.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.356 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.32 131.91 52.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.055 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -117.88 130.61 56.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.183 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.39 121.84 12.41 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.6 -39.11 16.46 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.891 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.5 175.5 9.37 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.909 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.61 71.88 0.88 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 50' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 29.17 72.56 0.05 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.81 94.38 0.14 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 68.34 91.32 0.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 53' ' ' SER . . . . . . . . . . . . . 45.7 t -149.39 145.94 27.23 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.778 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 54' ' ' SER . . . . . . . . . . . . . 41.9 t -127.61 121.43 30.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 55' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -71.75 -29.38 64.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 56' ' ' SER . . . . . . . . . . . . . 9.8 t 51.3 -161.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.392 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 57' ' ' SER . . . . . . . . . . . . . 69.1 m -57.9 138.93 55.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.433 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.85 152.72 28.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.652 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.84 -179.02 52.74 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.86 95.19 8.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.909 0.385 . . . . 0.0 110.793 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 61' ' ' SER . . . . . . . . . . . . . 77.7 p -151.35 154.32 36.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.43 126.14 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.675 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 63' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -135.3 102.47 5.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.485 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.25 146.64 26.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.665 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.55 -160.17 0.63 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.96 -46.07 16.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.719 0.295 . . . . 0.0 110.797 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.84 -103.23 2.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 68' ' ' THR . . . . . 0.408 HG21 ' HB2' ' G' ' 96' ' ' SER . 25.3 p -112.29 116.78 30.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 110.353 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.22 144.06 3.08 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 70' ' ' SER . . . . . . . . . . . . . 73.4 m -110.35 127.65 55.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.064 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 71' ' ' THR . . . . . 0.423 ' HA ' ' HG1' ' H' ' 71' ' ' THR . 0.0 OUTLIER -86.49 168.96 16.46 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.012 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' G' G ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.24 102.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.427 2.084 . . . . 0.0 113.311 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.69 112.77 3.36 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.649 0.593 . . . . 0.0 110.407 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.11 116.31 0.24 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 75' ' ' TYR . . . . . . . . . . . . . 4.5 t80 58.8 87.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.26 88.53 0.78 Allowed Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.7 123.97 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.391 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 78' ' ' THR . . . . . 0.433 ' O ' HG22 ' G' ' 78' ' ' THR . 1.0 OUTLIER -79.88 114.7 18.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.882 0.373 . . . . 0.0 110.225 178.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' G' G ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.92 -88.2 0.2 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.05 134.37 9.68 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 81' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -81.28 -168.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.684 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.32 -45.71 1.28 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 83' ' ' SER . . . . . . . . . . . . . 4.8 t 171.09 131.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.792 0.329 . . . . 0.0 110.613 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 84' ' ' SER . . . . . . . . . . . . . 43.1 t -98.42 -71.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.016 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 48.75 70.57 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.054 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.73 133.13 37.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.795 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 87' ' ' SER . . . . . . . . . . . . . 66.1 m -121.45 151.06 40.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.27 -173.49 0.66 Allowed 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.013 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -167.46 160.35 13.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.737 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 90' ' ' SER . . . . . . . . . . . . . 45.1 t -163.67 131.26 3.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.155 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.21 94.76 2.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.43 41.15 0.02 OUTLIER Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.53 133.6 41.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 110.436 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.48 137.23 35.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.65 130.11 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.301 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 96' ' ' SER . . . . . 0.408 ' HB2' HG21 ' G' ' 68' ' ' THR . 47.5 t 58.2 51.28 8.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.538 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 97' ' ' TYR . . . . . . . . . . . . . 59.0 t80 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.529 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' H' H ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -114.02 134.16 55.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.646 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.7 94.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.49 143.02 13.35 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 41' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -118.87 37.95 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.329 . . . . 0.0 110.491 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 42' ' ' SER . . . . . . . . . . . . . 40.2 t -55.57 140.36 41.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.57 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -105.62 -167.61 1.34 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.418 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 44' ' ' SER . . . . . . . . . . . . . 75.7 m -58.41 131.87 51.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 111.011 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -117.89 130.6 56.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.258 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -143.29 121.96 12.57 Favored 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -86.67 -39.16 16.32 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.855 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.52 175.42 9.44 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.907 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.73 71.9 0.87 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 50' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 29.07 72.54 0.05 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.67 94.41 0.13 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 68.19 91.29 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.862 0.363 . . . . 0.0 110.036 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 53' ' ' SER . . . . . . . . . . . . . 45.8 t -149.25 145.93 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.821 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 54' ' ' SER . . . . . . . . . . . . . 42.0 t -127.62 121.38 30.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.639 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 55' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.72 -29.36 64.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.573 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 56' ' ' SER . . . . . . . . . . . . . 10.0 t 51.29 -161.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.385 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 57' ' ' SER . . . . . . . . . . . . . 69.2 m -57.97 138.99 55.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.82 152.8 28.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.626 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.98 -179.0 52.71 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.84 95.15 8.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.974 0.416 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 61' ' ' SER . . . . . . . . . . . . . 77.8 p -151.29 154.35 36.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 62' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -49.46 126.1 12.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.688 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.24 102.35 5.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.602 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 64' ' ' THR . . . . . . . . . . . . . 81.5 p -100.13 146.72 26.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.732 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.65 -160.21 0.66 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.91 -46.09 15.75 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.67 0.271 . . . . 0.0 110.849 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.89 -103.32 2.48 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 68' ' ' THR . . . . . 0.405 HG21 ' HB2' ' H' ' 96' ' ' SER . 25.2 p -112.27 116.81 31.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.744 0.307 . . . . 0.0 110.438 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -169.24 144.0 3.05 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 70' ' ' SER . . . . . . . . . . . . . 73.3 m -110.25 127.58 55.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.116 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 71' ' ' THR . . . . . 0.423 ' HG1' ' HA ' ' G' ' 71' ' ' THR . 0.0 OUTLIER -86.37 168.95 16.6 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.065 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' H' H ' 72' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -49.42 102.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.435 2.09 . . . . 0.0 113.297 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -64.55 112.76 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.755 0.659 . . . . 0.0 110.463 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.05 116.32 0.23 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 75' ' ' TYR . . . . . . . . . . . . . 4.4 t80 58.99 87.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 0.0 110.664 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.25 88.62 0.78 Allowed Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 63.58 123.98 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 78' ' ' THR . . . . . 0.435 ' O ' HG22 ' H' ' 78' ' ' THR . 1.0 OUTLIER -79.8 114.79 18.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.915 0.388 . . . . 0.0 110.257 178.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' H' H ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.94 -88.24 0.2 Allowed Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.17 134.37 9.93 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 81' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -81.2 -168.1 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.769 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.19 -45.77 1.27 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.21 131.68 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.736 0.303 . . . . 0.0 110.688 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 84' ' ' SER . . . . . . . . . . . . . 43.2 t -98.42 -71.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.999 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.73 70.57 0.45 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . 13.8 t -135.71 133.16 37.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.764 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 87' ' ' SER . . . . . . . . . . . . . 66.3 m -121.49 151.08 40.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.42 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.32 -173.6 0.66 Allowed 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.057 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 89' ' ' SER . . . . . . . . . . . . . 92.9 p -167.4 160.45 13.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.768 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 90' ' ' SER . . . . . . . . . . . . . 45.2 t -163.76 131.19 3.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.15 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 91' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.25 95.01 2.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.995 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 92' ' ' GLY . . . . . . . . . . . . . . . 156.32 41.18 0.02 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.56 133.64 41.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 0.0 110.415 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.53 137.22 35.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.76 130.14 31.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.178 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 96' ' ' SER . . . . . 0.405 ' HB2' HG21 ' H' ' 68' ' ' THR . 47.6 t 58.07 51.39 8.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.522 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 97' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.571 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' I' I ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 38' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -114.08 134.11 55.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 39' ' ' SER . . . . . . . . . . . . . 7.2 t 51.78 94.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.54 143.05 13.37 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 41' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -118.68 37.46 4.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -55.26 140.35 39.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.574 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 43' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -105.45 -167.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.407 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 44' ' ' SER . . . . . . . . . . . . . 75.5 m -58.37 132.16 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.949 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 45' ' ' THR . . . . . . . . . . . . . 89.8 m -118.25 130.68 56.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.24 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -143.06 123.66 14.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.722 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 47' ' ' THR . . . . . . . . . . . . . 1.7 t -88.65 -39.19 14.23 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.465 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -133.56 175.41 9.45 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.828 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 49' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' I' ' 50' ' ' TYR . . . 67.73 72.01 0.86 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 50' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' I' ' 49' ' ' GLY . 13.1 m-85 28.96 73.93 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.88 94.36 0.17 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 110.274 -1.131 . . . . 0.0 110.274 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 68.05 90.97 0.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.819 0.343 . . . . 0.0 110.143 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -149.0 145.93 27.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.861 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -127.62 121.54 30.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 55' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -71.76 -29.49 64.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.572 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 56' ' ' SER . . . . . . . . . . . . . 10.0 t 51.34 -161.63 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.416 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 57' ' ' SER . . . . . . . . . . . . . 68.5 m -57.98 138.93 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.354 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -155.81 152.78 28.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.697 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.83 -178.97 52.71 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -93.84 94.99 8.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 61' ' ' SER . . . . . . . . . . . . . 78.2 p -151.12 154.36 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 62' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.6 126.22 13.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -135.42 102.4 5.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.492 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 64' ' ' THR . . . . . . . . . . . . . 81.9 p -99.91 147.06 25.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.721 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.99 -159.97 0.72 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.31 -45.85 17.73 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.431 0.158 . . . . 0.0 110.636 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.82 -103.47 2.51 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 68' ' ' THR . . . . . 0.405 HG21 ' HB2' ' I' ' 96' ' ' SER . 26.5 p -112.09 116.63 30.82 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -169.05 144.12 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.687 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -110.23 127.74 55.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.089 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.45 169.09 16.07 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.904 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -49.5 102.78 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.59 2.194 . . . . 0.0 112.984 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 73' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -64.56 113.11 3.49 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.561 0.538 . . . . 0.0 110.505 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.12 116.56 0.24 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 75' ' ' TYR . . . . . . . . . . . . . 4.3 t80 58.68 88.33 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.505 0.193 . . . . 0.0 110.562 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 76' ' ' GLY . . . . . . . . . . . . . . . -100.28 89.4 0.83 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p 62.84 123.98 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 78' ' ' THR . . . . . 0.444 ' O ' HG22 ' I' ' 78' ' ' THR . 1.0 OUTLIER -79.66 114.72 18.8 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.334 179.134 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' I' I ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.73 -88.03 0.2 Allowed Glycine 0 CA--C 1.527 0.806 0 C-N-CA 121.034 -0.603 . . . . 0.0 111.678 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 80' ' ' GLY . . . . . . . . . . . . . . . -46.2 134.65 9.85 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -81.44 -168.15 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.05 0.453 . . . . 0.0 110.631 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.29 -45.42 1.32 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 171.04 131.75 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.766 0.317 . . . . 0.0 110.598 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 84' ' ' SER . . . . . . . . . . . . . 43.1 t -98.36 -71.34 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.101 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 85' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 48.79 70.56 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.968 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 86' ' ' SER . . . . . . . . . . . . . 13.9 t -135.65 133.13 37.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.795 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 87' ' ' SER . . . . . . . . . . . . . 65.9 m -121.36 151.03 40.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -175.5 -174.28 0.7 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.048 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 89' ' ' SER . . . . . . . . . . . . . 93.2 p -166.67 160.54 15.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.833 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 90' ' ' SER . . . . . . . . . . . . . 45.4 t -163.61 131.79 3.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 111.137 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 91' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -145.85 96.18 2.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.783 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 92' ' ' GLY . . . . . . . . . . . . . . . 155.4 41.32 0.02 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 93' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.51 133.34 42.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.726 0.298 . . . . 0.0 110.551 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 94' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -139.5 137.19 35.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.847 0.356 . . . . 0.0 110.929 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.72 130.15 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.138 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 96' ' ' SER . . . . . 0.405 ' HB2' HG21 ' I' ' 68' ' ' THR . 47.4 t 58.13 51.29 8.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.572 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 97' ' ' TYR . . . . . . . . . . . . . 59.3 t80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.619 -179.979 . . . . . . . . 0 0 . 1 stop_ save_